2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C16H10F3N3OS — CID 1483697

IUPAC2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)11-1-3-12(4-2-11)21-14(23)13-9-24-15(22-13)10-5-7-20-8-6-10/h1-9H,(H,21,23)
InChIKeyBJTINXXCVKUILA-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.48
Rot. Bonds3

About 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 1483697) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID1483697
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)11-1-3-12(4-2-11)21-14(23)13-9-24-15(22-13)10-5-7-20-8-6-10/h1-9H,(H,21,23)
InChIKeyBJTINXXCVKUILA-UHFFFAOYSA-N
XLogP4.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 51002052
N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N-(2-chlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 2824236
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-7-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10126343
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
4-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10193998
3-[2-(Pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10236551
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308461
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308615
(S)-5-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 44199470
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217530
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217683

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 1483697) is 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1csc(-c2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BJTINXXCVKUILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)11-1-3-12(4-2-11)21-14(23)13-9-24-15(22-13)10-5-7-20-8-6-10/h1-9H,(H,21,23).
What are the key properties of 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1483697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).