2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H11F3N4O2S — CID 138030566

IUPAC2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C12H11F3N4O2S/c1-5(2)10-18-19-11(22-10)17-9(21)7-3-6(12(13,14)15)4-16-8(7)20/h3-5H,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyHKVWVNATJHZDPG-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.62
Rot. Bonds3

About 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 138030566) has the molecular formula C12H11F3N4O2S and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID138030566
Molecular FormulaC12H11F3N4O2S
Molecular Weight332.31 g/mol
Exact Mass332.06
IUPAC Name2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C12H11F3N4O2S/c1-5(2)10-18-19-11(22-10)17-9(21)7-3-6(12(13,14)15)4-16-8(7)20/h3-5H,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyHKVWVNATJHZDPG-UHFFFAOYSA-N
XLogP2.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 138030566) is 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)c1nnc(NC(=O)c2cc(C(F)(F)F)c[nH]c2=O)s1.
What is the InChIKey of 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HKVWVNATJHZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2S/c1-5(2)10-18-19-11(22-10)17-9(21)7-3-6(12(13,14)15)4-16-8(7)20/h3-5H,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138030566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).