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6-(4-Methoxyphenyl)-3-methylimidazo[2,1-b]thiazole-5-carbaldehyde , CAS No.134670-46-5
Basic Description
Synonyms
134670-46-5 | 6-(4-Methoxy-phenyl)-3-methyl-imidazo-[2,1-b]thiazole-5-carbaldehyde | 6-(4-methoxyphenyl)-3-methylimidazo[2,1-b]thiazole-5-carbaldehyde | 6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde | F3308-1097 | DTXSID80424361 | 6-(4-Methox
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Imidazothiazoles Anisoles Carbonylimidazoles Aryl-aldehydes Alkyl aryl ethers N-substituted imidazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylimidazole - 5-phenylimidazole - Phenoxy compound - Anisole - Imidazothiazole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Imidazole-4-carbonyl group - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Thiazole - Ether - Azacycle - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
INCHI
InChI=1S/C14H12N2O2S/c1-9-8-19-14-15-13(12(7-17)16(9)14)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKey
IKGDGHBVWWWUGA-UHFFFAOYSA-N
Smiles
CC1=CSC2=NC(=C(N12)C=O)C3=CC=C(C=C3)OC
Isomeric SMILES
CC1=CSC2=NC(=C(N12)C=O)C3=CC=C(C=C3)OC
Molecular Weight
272.32
Reaxy-Rn
41777141
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41777141&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
272.320 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
272.062 Da
Monoisotopic Mass
272.062 Da
Topological Polar Surface Area
71.800 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
333.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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