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

C5H8N2O2S — CID 5216267

IUPAC2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid
SMILESNC1=NC(CC(=O)O)CS1
InChIInChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)
InChIKeyANCWBXJZUCHVHL-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.11
Rot. Bonds2

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

2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid (PubChem CID 5216267) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid
PubChem CID5216267
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid
SMILESNC1=NC(CC(=O)O)CS1
InChIInChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)
InChIKeyANCWBXJZUCHVHL-UHFFFAOYSA-N
XLogP-0.11
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)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-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid (CID 5216267) is 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid is NC1=NC(CC(=O)O)CS1.
What is the InChIKey of 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid?
The InChIKey is ANCWBXJZUCHVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h3H,1-2H2,(H2,6,7)(H,8,9).
What are the key properties of 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid?
2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetic acid has a molecular weight of 160.20 g/mol, XLogP of -0.11, 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)acetic acid is sourced from PubChem (CID 5216267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).