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

C8H10N2O3S — CID 12831788

IUPAC2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid
SMILESCC(C)c1csc(NC(=O)C(=O)O)n1
InChIInChI=1S/C8H10N2O3S/c1-4(2)5-3-14-8(9-5)10-6(11)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyARNHEXOAFAUFNF-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.29
Rot. Bonds2

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

2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 12831788) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID12831788
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid
SMILESCC(C)c1csc(NC(=O)C(=O)O)n1
InChIInChI=1S/C8H10N2O3S/c1-4(2)5-3-14-8(9-5)10-6(11)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyARNHEXOAFAUFNF-UHFFFAOYSA-N
XLogP1.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-2-[(4-propan-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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid (CID 12831788) is 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid is CC(C)c1csc(NC(=O)C(=O)O)n1.
What is the InChIKey of 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is ARNHEXOAFAUFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4(2)5-3-14-8(9-5)10-6(11)7(12)13/h3-4H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid?
2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 214.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 12831788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).