2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C11H8F3N3O3S — CID 106383516

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H8F3N3O3S/c12-11(13,14)7-2-1-6(9(18)19)8(17-7)15-3-5-4-21-10(20)16-5/h1-2,4H,3H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyRVGCSWASPGAIOG-UHFFFAOYSA-N
MW319.26 g/mol
LogP2.16
Rot. Bonds4

About 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 106383516) has the molecular formula C11H8F3N3O3S and a molecular weight of 319.26 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID106383516
Molecular FormulaC11H8F3N3O3S
Molecular Weight319.26 g/mol
Exact Mass319.02
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H8F3N3O3S/c12-11(13,14)7-2-1-6(9(18)19)8(17-7)15-3-5-4-21-10(20)16-5/h1-2,4H,3H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyRVGCSWASPGAIOG-UHFFFAOYSA-N
XLogP2.16
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-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

Related Compounds

2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876215
2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876209
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106409489
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876190
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
2-amino-4-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 114181768
2-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 106379581
4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382038
2-(3-methylsulfanylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877167
2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 106383516) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1NCc1csc(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RVGCSWASPGAIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3S/c12-11(13,14)7-2-1-6(9(18)19)8(17-7)15-3-5-4-21-10(20)16-5/h1-2,4H,3H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 319.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 106383516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).