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

C18H12ClN5OS — CID 78835415

IUPAC5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN5OS/c19-12-6-4-11(5-7-12)16-13(9-21-24-16)17(25)23-18-22-15(10-26-18)14-3-1-2-8-20-14/h1-10H,(H,21,24)(H,22,23,25)
InChIKeyAEOQSQOBROADMW-UHFFFAOYSA-N
MW381.85 g/mol
LogP4.50
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 78835415) has the molecular formula C18H12ClN5OS and a molecular weight of 381.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID78835415
Molecular FormulaC18H12ClN5OS
Molecular Weight381.85 g/mol
Exact Mass381.05
IUPAC Name5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClN5OS/c19-12-6-4-11(5-7-12)16-13(9-21-24-16)17(25)23-18-22-15(10-26-18)14-3-1-2-8-20-14/h1-10H,(H,21,24)(H,22,23,25)
InChIKeyAEOQSQOBROADMW-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

2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 24597214
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
2-chloro-4-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4826312
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927668
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
2-[(4-chlorobenzoyl)-methylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 176859355
2-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 78835415) is 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is AEOQSQOBROADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5OS/c19-12-6-4-11(5-7-12)16-13(9-21-24-16)17(25)23-18-22-15(10-26-18)14-3-1-2-8-20-14/h1-10H,(H,21,24)(H,22,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-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 5-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78835415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).