2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

C17H12ClN5OS2 — CID 56848350

IUPAC2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C17H12ClN5OS2/c1-23-13(8-12(22-23)16-19-6-7-25-16)14-9-20-17(26-14)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,20,21,24)
InChIKeyHHUGQNIZYOESGF-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.57
Rot. Bonds4

About 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide

2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (PubChem CID 56848350) has the molecular formula C17H12ClN5OS2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
PubChem CID56848350
Molecular FormulaC17H12ClN5OS2
Molecular Weight401.90 g/mol
Exact Mass401.02
IUPAC Name2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C17H12ClN5OS2/c1-23-13(8-12(22-23)16-19-6-7-25-16)14-9-20-17(26-14)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,20,21,24)
InChIKeyHHUGQNIZYOESGF-UHFFFAOYSA-N
XLogP4.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;bis(2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide);3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 159156759
2-chloro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 159700015
3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 127042532
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
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CID 3741602
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
2-chloro-N-[5-(5-chloro-2-methyl-3a,7a-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]benzamide
CID 88576606
2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 123487354
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
2-(2-methoxyethoxy)-N-(5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 167988399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide (CID 56848350) is 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is Cn1nc(-c2nccs2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HHUGQNIZYOESGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS2/c1-23-13(8-12(22-23)16-19-6-7-25-16)14-9-20-17(26-14)21-15(24)10-4-2-3-5-11(10)18/h2-9H,1H3,(H,20,21,24).
What are the key properties of 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 401.90 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 56848350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).