6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

C15H16F3N3O2S — CID 146075368

IUPAC6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cs1
InChIInChI=1S/C15H16F3N3O2S/c1-8(2)14-21-9(7-24-14)3-4-19-13(23)10-6-20-12(22)5-11(10)15(16,17)18/h5-8H,3-4H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyKGPHKCUZJPUGBK-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.95
Rot. Bonds5

About 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide

6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 146075368) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID146075368
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cs1
InChIInChI=1S/C15H16F3N3O2S/c1-8(2)14-21-9(7-24-14)3-4-19-13(23)10-6-20-12(22)5-11(10)15(16,17)18/h5-8H,3-4H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyKGPHKCUZJPUGBK-UHFFFAOYSA-N
XLogP2.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 91761022
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 126799862
5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 126782331
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
CID 169411645
2-hydroxy-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-5-(prop-2-enoylamino)benzamide
CID 166408652
5-(methylsulfamoyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 126784875
2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86986102
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
4-hydroxy-3-nitro-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 75452335
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 146075368) is 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)c1nc(CCNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cs1.
What is the InChIKey of 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KGPHKCUZJPUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-8(2)14-21-9(7-24-14)3-4-19-13(23)10-6-20-12(22)5-11(10)15(16,17)18/h5-8H,3-4H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 146075368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).