2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid

C12H12N2O4S — CID 65346582

IUPAC2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C12H12N2O4S/c15-10(16)5-7-2-1-3-8(4-7)13-11(17)9-6-19-12(18)14-9/h1-4,9H,5-6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyOSYBPYHKCBMEKI-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.08
Rot. Bonds4

About 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid

2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 65346582) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
PubChem CID65346582
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C12H12N2O4S/c15-10(16)5-7-2-1-3-8(4-7)13-11(17)9-6-19-12(18)14-9/h1-4,9H,5-6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKeyOSYBPYHKCBMEKI-UHFFFAOYSA-N
XLogP1.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-(3-ethynylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864784
2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 61131241
2-[3-[(2-cyclopropylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 75482501
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
2-chloro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61398506
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 82885183
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid (CID 65346582) is 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2CSC(=O)N2)c1.
What is the InChIKey of 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is OSYBPYHKCBMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c15-10(16)5-7-2-1-3-8(4-7)13-11(17)9-6-19-12(18)14-9/h1-4,9H,5-6H2,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid?
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65346582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).