N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H14F3N3O2S — CID 138026456

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cnc(C(C)(C)NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-7-5-19-12(23-7)13(2,3)20-10(21)8-4-9(14(15,16)17)11(22)18-6-8/h4-6H,1-3H3,(H,18,22)(H,20,21)
InChIKeyAFDMNDHBWSIOJH-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.82
Rot. Bonds3

About N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 138026456) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID138026456
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1cnc(C(C)(C)NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-7-5-19-12(23-7)13(2,3)20-10(21)8-4-9(14(15,16)17)11(22)18-6-8/h4-6H,1-3H3,(H,18,22)(H,20,21)
InChIKeyAFDMNDHBWSIOJH-UHFFFAOYSA-N
XLogP2.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 72047707
N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75389323
(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
CID 143454822
2-(aminomethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 144024743
2-(1-aminoethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547312
N-[(2E,4E)-4-(1,1-difluoroethyl)-5-methylhepta-2,4,6-trien-2-yl]-2-[1-[[(Z,2E)-2-(5-methyl-2-methylidene-1H-pyrrol-3-ylidene)pent-3-enoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 145547584
2-(1-aminoethyl)-N-[(3E)-5-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547617
2-(1-aminoethyl)-N-[5-methyl-4-(trifluoromethyl)-1lambda3-iodacyclohexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 163766711
(Z)-2-amino-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 178688998
2-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 56070365
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86836187
3-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 113876886

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 138026456) is N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1cnc(C(C)(C)NC(=O)c2c[nH]c(=O)c(C(F)(F)F)c2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AFDMNDHBWSIOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-7-5-19-12(23-7)13(2,3)20-10(21)8-4-9(14(15,16)17)11(22)18-6-8/h4-6H,1-3H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138026456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).