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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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).