6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine

C9H10F3N3OS — CID 170013190

IUPAC6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(S2(=O)=NCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7-4-6(13)5-14-8(7)17(16)3-1-2-15-17/h4-5H,1-3,13H2
InChIKeyZXKDWLJEIMVLKQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.91
Rot. Bonds1

About 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine

6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 170013190) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID170013190
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESNc1cnc(S2(=O)=NCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)7-4-6(13)5-14-8(7)17(16)3-1-2-15-17/h4-5H,1-3,13H2
InChIKeyZXKDWLJEIMVLKQ-UHFFFAOYSA-N
XLogP1.91
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine (CID 170013190) is 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine is Nc1cnc(S2(=O)=NCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZXKDWLJEIMVLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)7-4-6(13)5-14-8(7)17(16)3-1-2-15-17/h4-5H,1-3,13H2.
What are the key properties of 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 265.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 170013190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).