2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid

C9H6N2O3S2 — CID 3068157

IUPAC2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N2O3S2/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyGADGGECYPDBRQA-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.89
Rot. Bonds2

About 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid

2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 3068157) has the molecular formula C9H6N2O3S2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID3068157
Molecular FormulaC9H6N2O3S2
Molecular Weight254.29 g/mol
Exact Mass253.98
IUPAC Name2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)C(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C9H6N2O3S2/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12)
InChIKeyGADGGECYPDBRQA-UHFFFAOYSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 854410
N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 693802
Acetic acid, (2-benzothiazolylamino)oxo-
CID 56109
N-(4-(thiophen-2-yl)thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 4121648
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
N-(4-phenyl-thiazol-2-yl)-oxamic acid
CID 4713520
Acetic acid, oxo((4-(2-thienyl)-2-thiazolyl)amino)-, ethyl ester
CID 3068156
Acetic acid, oxo((4-(2-thienyl)-2-thiazolyl)amino)-, compd. with 2-aminoethanol (1:1)
CID 3068159
Acetic acid, oxo((4-(3-thienyl)-2-thiazolyl)amino)-, ethyl ester
CID 3068160
acetic acid, oxo((4-(2-thienyl)-2-thiazolyl)amino)-, monosodium salt
CID 23666411
(Z)-3-methyl-4-oxo-4-((4-(thiophen-2-yl)thiazol-2-yl)amino)but-2-enoic acid
CID 7223552
4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 2314012

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid (CID 3068157) is 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid is O=C(O)C(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is GADGGECYPDBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3S2/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12).
What are the key properties of 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 3068157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).