5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid

C10H11F3N2O3S — CID 112737686

IUPAC5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid
SMILESO=C(O)CC(CCNC(=O)c1cncs1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)6(3-8(16)17)1-2-15-9(18)7-4-14-5-19-7/h4-6H,1-3H2,(H,15,18)(H,16,17)
InChIKeyLFEVLWHBIDLURE-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.92
Rot. Bonds6

About 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid

5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid (PubChem CID 112737686) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid
PubChem CID112737686
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid
SMILESO=C(O)CC(CCNC(=O)c1cncs1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)6(3-8(16)17)1-2-15-9(18)7-4-14-5-19-7/h4-6H,1-3H2,(H,15,18)(H,16,17)
InChIKeyLFEVLWHBIDLURE-UHFFFAOYSA-N
XLogP1.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid (CID 112737686) is 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid is O=C(O)CC(CCNC(=O)c1cncs1)C(F)(F)F.
What is the InChIKey of 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid?
The InChIKey is LFEVLWHBIDLURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)6(3-8(16)17)1-2-15-9(18)7-4-14-5-19-7/h4-6H,1-3H2,(H,15,18)(H,16,17).
What are the key properties of 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid?
5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid has a molecular weight of 296.27 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazole-5-carbonylamino)-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 112737686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).