2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid

C5H4N2O3S — CID 23038953

IUPAC2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1nccs1
InChIInChI=1S/C5H4N2O3S/c8-3(4(9)10)7-5-6-1-2-11-5/h1-2H,(H,9,10)(H,6,7,8)
InChIKeyOPYBRLFGZHVSOI-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.17
Rot. Bonds1

About 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid

2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid (PubChem CID 23038953) has the molecular formula C5H4N2O3S and a molecular weight of 172.16 g/mol. Its IUPAC name is 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid
PubChem CID23038953
Molecular FormulaC5H4N2O3S
Molecular Weight172.16 g/mol
Exact Mass171.99
IUPAC Name2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid
SMILESO=C(O)C(=O)Nc1nccs1
InChIInChI=1S/C5H4N2O3S/c8-3(4(9)10)7-5-6-1-2-11-5/h1-2H,(H,9,10)(H,6,7,8)
InChIKeyOPYBRLFGZHVSOI-UHFFFAOYSA-N
XLogP0.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamidothiazole
CID 17625
2-(2-Hydroxy-ethylsulfanyl)-N-thiazol-2-yl-acetamide
CID 652098
Ethyl 2-oxo-2-(1,3-thiazol-2-ylamino)acetate
CID 1714008
2-amino-N-(1,3-thiazol-2-yl)acetamide
CID 20558664
2-[(5-Bromo-1,3-thiazol-2-yl)amino]-2-oxoacetic acid
CID 60784184
2-(2-Amino-1,3-thiazol-3-ium-3-yl)acetate
CID 2249315
2-((1,3-Thiazol-2-yl)amino)acetic acid
CID 302150
2-Thiazolealanine
CID 5488184
3-Azapentanedioic acid, 3-(2-thiazolyl)-
CID 3115033
2-[(1,3-Thiazol-2-yl)carbamoyl]acetic acid
CID 12655699
Aminothiazole acetate
CID 87186563
Acetamide,2-fluoro-N-thiazol-2-YL-
CID 45121951

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid?
The IUPAC name of 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid (CID 23038953) is 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid is O=C(O)C(=O)Nc1nccs1.
What is the InChIKey of 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid?
The InChIKey is OPYBRLFGZHVSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3S/c8-3(4(9)10)7-5-6-1-2-11-5/h1-2H,(H,9,10)(H,6,7,8).
What are the key properties of 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid?
2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid has a molecular weight of 172.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1,3-thiazol-2-ylamino)acetic acid is sourced from PubChem (CID 23038953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).