2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane

C21H21ClF3N3O2S — CID 156849326

IUPAC2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane
SMILESCC.CC(C)c1sc(Nc2ncccc2C(=O)O)nc1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N3O2S.C2H6/c1-9(2)15-14(10-5-6-13(20)12(8-10)19(21,22)23)25-18(29-15)26-16-11(17(27)28)4-3-7-24-16;1-2/h3-9H,1-2H3,(H,27,28)(H,24,25,26);1-2H3
InChIKeyQXFAHWZRKSXNJD-UHFFFAOYSA-N
MW471.93 g/mol
LogP7.47
Rot. Bonds5

About 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane

2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane (PubChem CID 156849326) has the molecular formula C21H21ClF3N3O2S and a molecular weight of 471.93 g/mol. Its IUPAC name is 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane
PubChem CID156849326
Molecular FormulaC21H21ClF3N3O2S
Molecular Weight471.93 g/mol
Exact Mass471.10
IUPAC Name2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane
SMILESCC.CC(C)c1sc(Nc2ncccc2C(=O)O)nc1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H15ClF3N3O2S.C2H6/c1-9(2)15-14(10-5-6-13(20)12(8-10)19(21,22)23)25-18(29-15)26-16-11(17(27)28)4-3-7-24-16;1-2/h3-9H,1-2H3,(H,27,28)(H,24,25,26);1-2H3
InChIKeyQXFAHWZRKSXNJD-UHFFFAOYSA-N
XLogP7.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.93
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 15949822
1-(3-Chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 15949911
1-(3-Chloro-5-(5-fluoro-4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 16659674
1-(3-Chloro-5-(4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 46911716
(4R)-1-(3-chloro-5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 44565187
1-(3-Chloro-5-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-5-methylthiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 46911717
1-(3-Chloro-5-(5-fluoro-4-(4-fluoro-3-isobutylphenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 46911718
1-(3-Chloro-5-(5-fluoro-4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 49797998
1-(3-Chloro-5-(5-chloro-4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 49798018
1-(3-Chloro-5-(5-ethyl-4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 49798019
1-(3-Chloro-5-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-5-propylthiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 49798020
1-(5-(4-(3-Butyl-4-fluorophenyl)-5-fluorothiazol-2-ylcarbamoyl)-3-chloropyridin-2-yl)piperidine-4-carboxylic acid
CID 49798117

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane?
The IUPAC name of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane (CID 156849326) is 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane is CC.CC(C)c1sc(Nc2ncccc2C(=O)O)nc1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane?
The InChIKey is QXFAHWZRKSXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2S.C2H6/c1-9(2)15-14(10-5-6-13(20)12(8-10)19(21,22)23)25-18(29-15)26-16-11(17(27)28)4-3-7-24-16;1-2/h3-9H,1-2H3,(H,27,28)(H,24,25,26);1-2H3.
What are the key properties of 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane?
2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane has a molecular weight of 471.93 g/mol, XLogP of 7.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 156849326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).