2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid

C6H10N2O2S — CID 155530359

IUPAC2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CSC(N)=N1
InChIInChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyHQCCRLRYTXVTRA-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.14
Rot. Bonds2

About 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid

2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid (PubChem CID 155530359) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid
PubChem CID155530359
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid
SMILESCC(C(=O)O)C1CSC(N)=N1
InChIInChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyHQCCRLRYTXVTRA-UHFFFAOYSA-N
XLogP0.14
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic 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-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid?
The IUPAC name of 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid (CID 155530359) is 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid?
The canonical SMILES for 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid is CC(C(=O)O)C1CSC(N)=N1.
What is the InChIKey of 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid?
The InChIKey is HQCCRLRYTXVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3(5(9)10)4-2-11-6(7)8-4/h3-4H,2H2,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid?
2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid has a molecular weight of 174.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)propanoic acid is sourced from PubChem (CID 155530359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).