2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C10H6F3N3O2S — CID 106922364

IUPAC2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1Sc1ncco1
InChIInChI=1S/C10H6F3N3O2S/c11-10(12,13)6-2-1-5(7(14)17)8(16-6)19-9-15-3-4-18-9/h1-4H,(H2,14,17)
InChIKeyPMPFKDOPYBHUFD-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.34
Rot. Bonds3

About 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106922364) has the molecular formula C10H6F3N3O2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106922364
Molecular FormulaC10H6F3N3O2S
Molecular Weight289.24 g/mol
Exact Mass289.01
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1Sc1ncco1
InChIInChI=1S/C10H6F3N3O2S/c11-10(12,13)6-2-1-5(7(14)17)8(16-6)19-9-15-3-4-18-9/h1-4H,(H2,14,17)
InChIKeyPMPFKDOPYBHUFD-UHFFFAOYSA-N
XLogP2.34
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106922364) is 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PMPFKDOPYBHUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2S/c11-10(12,13)6-2-1-5(7(14)17)8(16-6)19-9-15-3-4-18-9/h1-4H,(H2,14,17).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 289.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106922364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).