4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C17H12F3N3OS — CID 1483717

IUPAC4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3OS/c1-10-14(25-16(22-10)11-3-2-8-21-9-11)15(24)23-13-6-4-12(5-7-13)17(18,19)20/h2-9H,1H3,(H,23,24)
InChIKeyZXGRUCREYUTPOI-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.78
Rot. Bonds3

About 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 1483717) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID1483717
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3OS/c1-10-14(25-16(22-10)11-3-2-8-21-9-11)15(24)23-13-6-4-12(5-7-13)17(18,19)20/h2-9H,1H3,(H,23,24)
InChIKeyZXGRUCREYUTPOI-UHFFFAOYSA-N
XLogP4.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
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
4-Amino-6-(piperidin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237718
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
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-(4-chlorophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644830

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 1483717) is 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZXGRUCREYUTPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-10-14(25-16(22-10)11-3-2-8-21-9-11)15(24)23-13-6-4-12(5-7-13)17(18,19)20/h2-9H,1H3,(H,23,24).
What are the key properties of 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1483717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).