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

C10H11F3N2O3S — CID 84557901

IUPAC2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1scnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F3N2O3S/c1-2-3-5(9(17)18)15-8(16)6-7(10(11,12)13)14-4-19-6/h4-5H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyBOOLWPDIHQGORF-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.14
Rot. Bonds5

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

2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid (PubChem CID 84557901) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
PubChem CID84557901
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1scnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F3N2O3S/c1-2-3-5(9(17)18)15-8(16)6-7(10(11,12)13)14-4-19-6/h4-5H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyBOOLWPDIHQGORF-UHFFFAOYSA-N
XLogP2.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic 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 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid (CID 84557901) is 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid is CCCC(NC(=O)c1scnc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The InChIKey is BOOLWPDIHQGORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-2-3-5(9(17)18)15-8(16)6-7(10(11,12)13)14-4-19-6/h4-5H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid has a molecular weight of 296.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 84557901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).