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

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Related Compounds

(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
2-[[6-(trifluoromethyl)pyrimidine-4-carbonyl]amino]pentanoic acid
CID 154159367
(2S)-2-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 107564389
ethyl 4,5-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 84561349
methyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 99978957
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
(2S)-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]hexanoic acid
CID 107144499
4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
CID 135150553
(2S)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 107564210
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
(2R)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pentanoic acid
CID 107562869

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).