2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H14F5N3S — CID 15107724

IUPAC2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1c(C#N)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1
InChIInChI=1S/C15H14F5N3S/c1-7(2)5-8-9(6-21)11(13(16)17)23-12(15(18,19)20)10(8)14-22-3-4-24-14/h7,13H,3-5H2,1-2H3
InChIKeyAIZCYBBTBKWLAA-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.60
Rot. Bonds4

About 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 15107724) has the molecular formula C15H14F5N3S and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID15107724
Molecular FormulaC15H14F5N3S
Molecular Weight363.36 g/mol
Exact Mass363.08
IUPAC Name2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1c(C#N)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1
InChIInChI=1S/C15H14F5N3S/c1-7(2)5-8-9(6-21)11(13(16)17)23-12(15(18,19)20)10(8)14-22-3-4-24-14/h7,13H,3-5H2,1-2H3
InChIKeyAIZCYBBTBKWLAA-UHFFFAOYSA-N
XLogP4.60
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile 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 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 15107724) is 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)Cc1c(C#N)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1.
What is the InChIKey of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is AIZCYBBTBKWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N3S/c1-7(2)5-8-9(6-21)11(13(16)17)23-12(15(18,19)20)10(8)14-22-3-4-24-14/h7,13H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 363.36 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 15107724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).