2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C12H10F3N3O2S — CID 66372798

IUPAC2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-2-1-4-16-10(7)17-5-3-9-18-8(6-21-9)11(19)20/h1-2,4,6H,3,5H2,(H,16,17)(H,19,20)
InChIKeyHPMYLFYUHYNUGI-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372798) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372798
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNc2ncccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)7-2-1-4-16-10(7)17-5-3-9-18-8(6-21-9)11(19)20/h1-2,4,6H,3,5H2,(H,16,17)(H,19,20)
InChIKeyHPMYLFYUHYNUGI-UHFFFAOYSA-N
XLogP2.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-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

Related Compounds

2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379723
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
2-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374911
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
4-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-2-carboxamide
CID 133313933
2-[[(3-methoxycarbonyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379533
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
2-[2-[(4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372427

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372798) is 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCNc2ncccc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HPMYLFYUHYNUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)7-2-1-4-16-10(7)17-5-3-9-18-8(6-21-9)11(19)20/h1-2,4,6H,3,5H2,(H,16,17)(H,19,20).
What are the key properties of 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 317.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).