2-formamido-2-(1,3-thiazol-2-yl)butanoic acid

C8H10N2O3S — CID 22916727

IUPAC2-formamido-2-(1,3-thiazol-2-yl)butanoic acid
SMILESCCC(NC=O)(C(=O)O)c1nccs1
InChIInChI=1S/C8H10N2O3S/c1-2-8(7(12)13,10-5-11)6-9-3-4-14-6/h3-5H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyMPCIVSRQWQQDBK-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.58
Rot. Bonds5

About 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid

2-formamido-2-(1,3-thiazol-2-yl)butanoic acid (PubChem CID 22916727) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-formamido-2-(1,3-thiazol-2-yl)butanoic acid
PubChem CID22916727
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-formamido-2-(1,3-thiazol-2-yl)butanoic acid
SMILESCCC(NC=O)(C(=O)O)c1nccs1
InChIInChI=1S/C8H10N2O3S/c1-2-8(7(12)13,10-5-11)6-9-3-4-14-6/h3-5H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyMPCIVSRQWQQDBK-UHFFFAOYSA-N
XLogP0.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-formamido-2-(1,3-thiazol-2-yl)butanoic 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-formamido-2-(1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid (CID 22916727) is 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid is CCC(NC=O)(C(=O)O)c1nccs1.
What is the InChIKey of 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid?
The InChIKey is MPCIVSRQWQQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-8(7(12)13,10-5-11)6-9-3-4-14-6/h3-5H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid?
2-formamido-2-(1,3-thiazol-2-yl)butanoic acid has a molecular weight of 214.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-(1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 22916727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).