2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide

C18H12ClN5OS — CID 20683994

IUPAC2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1
InChIInChI=1S/C18H12ClN5OS/c19-13-3-1-12(2-4-13)16-22-14(11-5-7-20-8-6-11)15(23-16)17(25)24-18-21-9-10-26-18/h1-10H,(H,22,23)(H,21,24,25)
InChIKeyMOQFKCJIEHBLOS-UHFFFAOYSA-N
MW381.85 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide

2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide (PubChem CID 20683994) has the molecular formula C18H12ClN5OS and a molecular weight of 381.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
PubChem CID20683994
Molecular FormulaC18H12ClN5OS
Molecular Weight381.85 g/mol
Exact Mass381.05
IUPAC Name2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1
InChIInChI=1S/C18H12ClN5OS/c19-13-3-1-12(2-4-13)16-22-14(11-5-7-20-8-6-11)15(23-16)17(25)24-18-21-9-10-26-18/h1-10H,(H,22,23)(H,21,24,25)
InChIKeyMOQFKCJIEHBLOS-UHFFFAOYSA-N
XLogP4.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 20684080
2-(2-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 20683988
2-(4-tert-butylphenyl)-4-[4-(dimethylamino)phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 20684082
[4-[2-(4-nitrophenyl)-5-(1,3-thiazol-2-ylcarbamoyl)-1H-imidazol-4-yl]phenyl]methyl methanesulfinate;hydrochloride
CID 86757371
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 21381112
2-(4-fluorophenyl)-4-pyridin-4-yl-1H-imidazole-5-carboxylic acid
CID 70249057
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
4-amino-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 63107015
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide (CID 20683994) is 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide is O=C(Nc1nccs1)c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The InChIKey is MOQFKCJIEHBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5OS/c19-13-3-1-12(2-4-13)16-22-14(11-5-7-20-8-6-11)15(23-16)17(25)24-18-21-9-10-26-18/h1-10H,(H,22,23)(H,21,24,25).
What are the key properties of 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide has a molecular weight of 381.85 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 20683994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).