3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid

C11H12F3N3O3S — CID 79397901

IUPAC3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2(C(F)(F)F)CCNC2)c1C(=O)O
InChIInChI=1S/C11H12F3N3O3S/c1-5-6(8(18)19)7(21-17-5)16-9(20)10(11(12,13)14)2-3-15-4-10/h15H,2-4H2,1H3,(H,16,20)(H,18,19)
InChIKeyILUZYPKONJNSMZ-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.63
Rot. Bonds3

About 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79397901) has the molecular formula C11H12F3N3O3S and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79397901
Molecular FormulaC11H12F3N3O3S
Molecular Weight323.30 g/mol
Exact Mass323.06
IUPAC Name3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2(C(F)(F)F)CCNC2)c1C(=O)O
InChIInChI=1S/C11H12F3N3O3S/c1-5-6(8(18)19)7(21-17-5)16-9(20)10(11(12,13)14)2-3-15-4-10/h15H,2-4H2,1H3,(H,16,20)(H,18,19)
InChIKeyILUZYPKONJNSMZ-UHFFFAOYSA-N
XLogP1.63
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid (CID 79397901) is 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)C2(C(F)(F)F)CCNC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is ILUZYPKONJNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3S/c1-5-6(8(18)19)7(21-17-5)16-9(20)10(11(12,13)14)2-3-15-4-10/h15H,2-4H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 323.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79397901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).