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

C5H8N2O2S — CID 70407271

IUPAC2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)C1=CSCN1
InChIInChI=1S/C5H8N2O2S/c6-4(5(8)9)3-1-10-2-7-3/h1,4,7H,2,6H2,(H,8,9)
InChIKeyKVUAADBCYZFPLU-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.47
Rot. Bonds2

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

2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid (PubChem CID 70407271) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid
PubChem CID70407271
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid
SMILESNC(C(=O)O)C1=CSCN1
InChIInChI=1S/C5H8N2O2S/c6-4(5(8)9)3-1-10-2-7-3/h1,4,7H,2,6H2,(H,8,9)
InChIKeyKVUAADBCYZFPLU-UHFFFAOYSA-N
XLogP-0.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(2,3-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-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid (CID 70407271) is 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid is NC(C(=O)O)C1=CSCN1.
What is the InChIKey of 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid?
The InChIKey is KVUAADBCYZFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-4(5(8)9)3-1-10-2-7-3/h1,4,7H,2,6H2,(H,8,9).
What are the key properties of 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid?
2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid has a molecular weight of 160.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dihydro-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 70407271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).