4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C14H13F3N2O2S — CID 170312967

IUPAC4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1cc(C(F)(F)F)nc(-c2nccs2)c1C(=O)O
InChIInChI=1S/C14H13F3N2O2S/c1-7(2)5-8-6-9(14(15,16)17)19-11(10(8)13(20)21)12-18-3-4-22-12/h3-4,6-7H,5H2,1-2H3,(H,20,21)
InChIKeyNIGBOYBVUJABBC-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.12
Rot. Bonds4

About 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 170312967) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID170312967
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1cc(C(F)(F)F)nc(-c2nccs2)c1C(=O)O
InChIInChI=1S/C14H13F3N2O2S/c1-7(2)5-8-6-9(14(15,16)17)19-11(10(8)13(20)21)12-18-3-4-22-12/h3-4,6-7H,5H2,1-2H3,(H,20,21)
InChIKeyNIGBOYBVUJABBC-UHFFFAOYSA-N
XLogP4.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid 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 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 170312967) is 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Cc1cc(C(F)(F)F)nc(-c2nccs2)c1C(=O)O.
What is the InChIKey of 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is NIGBOYBVUJABBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-7(2)5-8-6-9(14(15,16)17)19-11(10(8)13(20)21)12-18-3-4-22-12/h3-4,6-7H,5H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 330.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 170312967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).