5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid

C9H9F3N2O3S — CID 167817502

IUPAC5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)5-4-13-8(18-5)14-6(15)2-1-3-7(16)17/h4H,1-3H2,(H,16,17)(H,13,14,15)
InChIKeyNESLMXFAXGXSGN-UHFFFAOYSA-N
MW282.24 g/mol
LogP2.36
Rot. Bonds5

About 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid

5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid (PubChem CID 167817502) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
PubChem CID167817502
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)5-4-13-8(18-5)14-6(15)2-1-3-7(16)17/h4H,1-3H2,(H,16,17)(H,13,14,15)
InChIKeyNESLMXFAXGXSGN-UHFFFAOYSA-N
XLogP2.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid (CID 167817502) is 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid is O=C(O)CCCC(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid?
The InChIKey is NESLMXFAXGXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c10-9(11,12)5-4-13-8(18-5)14-6(15)2-1-3-7(16)17/h4H,1-3H2,(H,16,17)(H,13,14,15).
What are the key properties of 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid?
5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid has a molecular weight of 282.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]pentanoic acid is sourced from PubChem (CID 167817502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).