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

C18H12ClN5OS — CID 177207565

IUPAC2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN5OS/c19-12-4-3-5-13(10-12)24-16(7-9-21-24)17(25)23-18-22-15(11-26-18)14-6-1-2-8-20-14/h1-11H,(H,22,23,25)
InChIKeyYJGJHCPAJWIZOA-UHFFFAOYSA-N
MW381.85 g/mol
LogP4.30
Rot. Bonds4

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

2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 177207565) has the molecular formula C18H12ClN5OS and a molecular weight of 381.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID177207565
Molecular FormulaC18H12ClN5OS
Molecular Weight381.85 g/mol
Exact Mass381.05
IUPAC Name2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN5OS/c19-12-4-3-5-13(10-12)24-16(7-9-21-24)17(25)23-18-22-15(11-26-18)14-6-1-2-8-20-14/h1-11H,(H,22,23,25)
InChIKeyYJGJHCPAJWIZOA-UHFFFAOYSA-N
XLogP4.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyclopropylsulfamoyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 177207630
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid
CID 177207667
2-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 8891885
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 86929338
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
1-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 16550695
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 46450886
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 177207565) is 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is YJGJHCPAJWIZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5OS/c19-12-4-3-5-13(10-12)24-16(7-9-21-24)17(25)23-18-22-15(11-26-18)14-6-1-2-8-20-14/h1-11H,(H,22,23,25).
What are the key properties of 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 381.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 177207565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).