4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H9ClF3N3OS — CID 122132944

IUPAC4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCc1csc(N(CC(F)(F)F)C(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C12H9ClF3N3OS/c1-7-5-21-11(18-7)19(6-12(14,15)16)10(20)9-4-8(13)2-3-17-9/h2-5H,6H2,1H3
InChIKeyKWBDOHSUJZFSED-UHFFFAOYSA-N
MW335.74 g/mol
LogP3.71
Rot. Bonds3

About 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 122132944) has the molecular formula C12H9ClF3N3OS and a molecular weight of 335.74 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID122132944
Molecular FormulaC12H9ClF3N3OS
Molecular Weight335.74 g/mol
Exact Mass335.01
IUPAC Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCc1csc(N(CC(F)(F)F)C(=O)c2cc(Cl)ccn2)n1
InChIInChI=1S/C12H9ClF3N3OS/c1-7-5-21-11(18-7)19(6-12(14,15)16)10(20)9-4-8(13)2-3-17-9/h2-5H,6H2,1H3
InChIKeyKWBDOHSUJZFSED-UHFFFAOYSA-N
XLogP3.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide 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-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 122132944) is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is Cc1csc(N(CC(F)(F)F)C(=O)c2cc(Cl)ccn2)n1.
What is the InChIKey of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is KWBDOHSUJZFSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3OS/c1-7-5-21-11(18-7)19(6-12(14,15)16)10(20)9-4-8(13)2-3-17-9/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 335.74 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 122132944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).