2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid

C9H11F3N2O2S — CID 80568911

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-5(2)14(4-9(10,11)12)8-13-6(3-17-8)7(15)16/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeyMCAGGTXIWQOCOK-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.62
Rot. Bonds4

About 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid

2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568911) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568911
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)c1nc(C(=O)O)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-5(2)14(4-9(10,11)12)8-13-6(3-17-8)7(15)16/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeyMCAGGTXIWQOCOK-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-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

ethyl 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574823
2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569415
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
2-[methyl(pentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568901
1-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544424
1-[2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543631
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-4-carboxylic acid
CID 70845902
2-[methyl-[(2-methylpropan-2-yl)oxy]amino]-1,3-thiazole-4-carboxylic acid
CID 165351685
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377464
4-[(4-methyl-1,3-thiazol-2-yl)-propan-2-ylamino]butanoic acid
CID 60828366
5-fluoro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 55010527
2-[but-2-ynoyl(methyl)amino]-1,3-thiazole-4-carboxylic acid
CID 127020702

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80568911) is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid is CC(C)N(CC(F)(F)F)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is MCAGGTXIWQOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-5(2)14(4-9(10,11)12)8-13-6(3-17-8)7(15)16/h3,5H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).