5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

C9H8F3N3O3S — CID 126482327

IUPAC5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)sc1N[C@@H]1CCNC1=O
InChIInChI=1S/C9H8F3N3O3S/c10-9(11,12)8-15-4(7(17)18)6(19-8)14-3-1-2-13-5(3)16/h3,14H,1-2H2,(H,13,16)(H,17,18)/t3-/m1/s1
InChIKeyCFOUKNCHDIUNCX-GSVOUGTGSA-N
MW295.24 g/mol
LogP1.16
Rot. Bonds3

About 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 126482327) has the molecular formula C9H8F3N3O3S and a molecular weight of 295.24 g/mol. Its IUPAC name is 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID126482327
Molecular FormulaC9H8F3N3O3S
Molecular Weight295.24 g/mol
Exact Mass295.02
IUPAC Name5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)sc1N[C@@H]1CCNC1=O
InChIInChI=1S/C9H8F3N3O3S/c10-9(11,12)8-15-4(7(17)18)6(19-8)14-3-1-2-13-5(3)16/h3,14H,1-2H2,(H,13,16)(H,17,18)/t3-/m1/s1
InChIKeyCFOUKNCHDIUNCX-GSVOUGTGSA-N
XLogP1.16
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-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-chloro-6-[[(3S)-2-oxopyrrolidin-3-yl]amino]pyrimidine-4-carboxylic acid
CID 118414656
(3S)-3-[[5-[5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazol-4-yl]-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 134461699
3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
CID 79401905
N-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166430604
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]piperidin-2-one
CID 79363726
2-[3-oxo-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-2-yl]acetic acid
CID 114449382
3-[4-(trifluoromethyl)anilino]piperidin-2-one
CID 62648784
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 164653754
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
N-[(3R)-2-oxopyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 97280400
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid (CID 126482327) is 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(C(F)(F)F)sc1N[C@@H]1CCNC1=O.
What is the InChIKey of 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CFOUKNCHDIUNCX-GSVOUGTGSA-N. The full InChI is InChI=1S/C9H8F3N3O3S/c10-9(11,12)8-15-4(7(17)18)6(19-8)14-3-1-2-13-5(3)16/h3,14H,1-2H2,(H,13,16)(H,17,18)/t3-/m1/s1.
What are the key properties of 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid?
5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 295.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-2-oxopyrrolidin-3-yl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 126482327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).