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

C23H21ClN4O2S — CID 43013985

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NC(c3ccc(Cl)cc3)c3nccn3C)s2)cc1
InChIInChI=1S/C23H21ClN4O2S/c1-14-20(31-23(26-14)16-6-10-18(30-3)11-7-16)22(29)27-19(21-25-12-13-28(21)2)15-4-8-17(24)9-5-15/h4-13,19H,1-3H3,(H,27,29)
InChIKeyOLMJQLOESRNPKS-UHFFFAOYSA-N
MW452.97 g/mol
LogP5.03
Rot. Bonds6

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

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 43013985) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID43013985
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NC(c3ccc(Cl)cc3)c3nccn3C)s2)cc1
InChIInChI=1S/C23H21ClN4O2S/c1-14-20(31-23(26-14)16-6-10-18(30-3)11-7-16)22(29)27-19(21-25-12-13-28(21)2)15-4-8-17(24)9-5-15/h4-13,19H,1-3H3,(H,27,29)
InChIKeyOLMJQLOESRNPKS-UHFFFAOYSA-N
XLogP5.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.97
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 25330794
2-(3-chlorophenyl)-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-5-carboxamide
CID 55444393
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
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
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 46451083
5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 78835145
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 25351466
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 43013985) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)NC(c3ccc(Cl)cc3)c3nccn3C)s2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OLMJQLOESRNPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c1-14-20(31-23(26-14)16-6-10-18(30-3)11-7-16)22(29)27-19(21-25-12-13-28(21)2)15-4-8-17(24)9-5-15/h4-13,19H,1-3H3,(H,27,29).
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 452.97 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43013985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).