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

C10H10F3N3O4S — CID 84556525

IUPAC5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)c1scnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H10F3N3O4S/c11-10(12,13)7-6(21-3-15-7)8(18)16-4(9(19)20)1-2-5(14)17/h3-4H,1-2H2,(H2,14,17)(H,16,18)(H,19,20)
InChIKeyLWBXOIFGTYSKFZ-UHFFFAOYSA-N
MW325.27 g/mol
LogP0.61
Rot. Bonds6

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

5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid (PubChem CID 84556525) has the molecular formula C10H10F3N3O4S and a molecular weight of 325.27 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
PubChem CID84556525
Molecular FormulaC10H10F3N3O4S
Molecular Weight325.27 g/mol
Exact Mass325.03
IUPAC Name5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)c1scnc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H10F3N3O4S/c11-10(12,13)7-6(21-3-15-7)8(18)16-4(9(19)20)1-2-5(14)17/h3-4H,1-2H2,(H2,14,17)(H,16,18)(H,19,20)
InChIKeyLWBXOIFGTYSKFZ-UHFFFAOYSA-N
XLogP0.61
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid (CID 84556525) is 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid is NC(=O)CCC(NC(=O)c1scnc1C(F)(F)F)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
The InChIKey is LWBXOIFGTYSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4S/c11-10(12,13)7-6(21-3-15-7)8(18)16-4(9(19)20)1-2-5(14)17/h3-4H,1-2H2,(H2,14,17)(H,16,18)(H,19,20).
What are the key properties of 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid?
5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid has a molecular weight of 325.27 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 84556525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).