5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

C14H14N2O3S — CID 647626

IUPAC5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H14N2O3S/c17-12(7-4-8-13(18)19)16-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,15,16,17)
InChIKeyUXAHOAJABZHDSJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.00
Rot. Bonds6

About 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 647626) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID647626
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H14N2O3S/c17-12(7-4-8-13(18)19)16-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,15,16,17)
InChIKeyUXAHOAJABZHDSJ-UHFFFAOYSA-N
XLogP3.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Butanoic acid, 4-oxo-4-((4-phenyl-2-thiazolyl)amino)-
CID 804919
2-Cinnamamido-4-phenylthiazole
CID 690181
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 813276
5-[(6-Methyl-2-benzothiazolyl)amino]-5-oxopentanoic acid
CID 839498
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181
2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2781529
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 3757551
N-(4-Phenyl-2-thiazolyl)-8-oxo-9,9,9-trifluorononanamide
CID 9977314
N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 12643450

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 647626) is 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is O=C(O)CCCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is UXAHOAJABZHDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-12(7-4-8-13(18)19)16-14-15-11(9-20-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,15,16,17).
What are the key properties of 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 647626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).