4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid

C11H6F3N3O3S — CID 94970499

IUPAC4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C11H6F3N3O3S/c12-11(13,14)9(20)17-10-16-6(7(21-10)8(18)19)5-3-1-2-4-15-5/h1-4H,(H,18,19)(H,16,17,20)
InChIKeyDNWCYICYLDFJJI-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.40
Rot. Bonds3

About 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid

4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 94970499) has the molecular formula C11H6F3N3O3S and a molecular weight of 317.25 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID94970499
Molecular FormulaC11H6F3N3O3S
Molecular Weight317.25 g/mol
Exact Mass317.01
IUPAC Name4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C(F)(F)F)nc1-c1ccccn1
InChIInChI=1S/C11H6F3N3O3S/c12-11(13,14)9(20)17-10-16-6(7(21-10)8(18)19)5-3-1-2-4-15-5/h1-4H,(H,18,19)(H,16,17,20)
InChIKeyDNWCYICYLDFJJI-UHFFFAOYSA-N
XLogP2.40
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-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-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid (CID 94970499) is 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(NC(=O)C(F)(F)F)nc1-c1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is DNWCYICYLDFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O3S/c12-11(13,14)9(20)17-10-16-6(7(21-10)8(18)19)5-3-1-2-4-15-5/h1-4H,(H,18,19)(H,16,17,20).
What are the key properties of 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid?
4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 317.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).