3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C15H12F3N5OS — CID 56848091

IUPAC3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C15H12F3N5OS/c1-8-4-3-5-19-12(8)13(24)21-14-20-7-10(25-14)9-6-11(15(16,17)18)22-23(9)2/h3-7H,1-2H3,(H,20,21,24)
InChIKeyQACUKJDSQSWJEI-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.52
Rot. Bonds3

About 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 56848091) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID56848091
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC Name3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C15H12F3N5OS/c1-8-4-3-5-19-12(8)13(24)21-14-20-7-10(25-14)9-6-11(15(16,17)18)22-23(9)2/h3-7H,1-2H3,(H,20,21,24)
InChIKeyQACUKJDSQSWJEI-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)-3-(4-(trifluoromethyl)phenylthio)picolinamide
CID 10412882
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 2092860
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
3-methyl-1-(2-methylpropyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 8849767
4-ethyl-5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-thiophenecarboxamide
CID 25162522
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353862
(2S)-3-(4-fluorophenyl)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353863

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 56848091) is 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ncc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is QACUKJDSQSWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c1-8-4-3-5-19-12(8)13(24)21-14-20-7-10(25-14)9-6-11(15(16,17)18)22-23(9)2/h3-7H,1-2H3,(H,20,21,24).
What are the key properties of 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56848091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).