N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide

C20H16F3N3OS — CID 24765319

IUPACN-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1nc(C2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H16F3N3OS/c1-11-10-24-8-7-15(11)18(27)26-19-25-16(12-5-6-12)17(28-19)13-3-2-4-14(9-13)20(21,22)23/h2-4,7-10,12H,5-6H2,1H3,(H,25,26,27)
InChIKeyFXPXNKOOZOQPPT-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.66
Rot. Bonds4

About N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide

N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide (PubChem CID 24765319) has the molecular formula C20H16F3N3OS and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide
PubChem CID24765319
Molecular FormulaC20H16F3N3OS
Molecular Weight403.43 g/mol
Exact Mass403.10
IUPAC NameN-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1nc(C2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H16F3N3OS/c1-11-10-24-8-7-15(11)18(27)26-19-25-16(12-5-6-12)17(28-19)13-3-2-4-14(9-13)20(21,22)23/h2-4,7-10,12H,5-6H2,1H3,(H,25,26,27)
InChIKeyFXPXNKOOZOQPPT-UHFFFAOYSA-N
XLogP5.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tak-715
CID 9952773
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-(4-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660463
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-(4-methyl-1,3-thiazol-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 2377416

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide (CID 24765319) is N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1nc(C2CC2)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is FXPXNKOOZOQPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3OS/c1-11-10-24-8-7-15(11)18(27)26-19-25-16(12-5-6-12)17(28-19)13-3-2-4-14(9-13)20(21,22)23/h2-4,7-10,12H,5-6H2,1H3,(H,25,26,27).
What are the key properties of N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide?
N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 24765319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).