2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide

C22H19ClN4OS — CID 55444393

IUPAC2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C22H19ClN4OS/c1-14-19(29-22(25-14)16-9-6-10-17(23)13-16)21(28)26-18(15-7-4-3-5-8-15)20-24-11-12-27(20)2/h3-13,18H,1-2H3,(H,26,28)
InChIKeyWLXAQOINHLPBMV-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.02
Rot. Bonds5

About 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide (PubChem CID 55444393) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
PubChem CID55444393
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C22H19ClN4OS/c1-14-19(29-22(25-14)16-9-6-10-17(23)13-16)21(28)26-18(15-7-4-3-5-8-15)20-24-11-12-27(20)2/h3-13,18H,1-2H3,(H,26,28)
InChIKeyWLXAQOINHLPBMV-UHFFFAOYSA-N
XLogP5.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43013985
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25330794
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
2-(furan-2-yl)-5-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 51934353
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide (CID 55444393) is 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(c1ccccc1)c1nccn1C.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WLXAQOINHLPBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-14-19(29-22(25-14)16-9-6-10-17(23)13-16)21(28)26-18(15-7-4-3-5-8-15)20-24-11-12-27(20)2/h3-13,18H,1-2H3,(H,26,28).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55444393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).