(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid

C6H8N2O2S — CID 57008968

IUPAC(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid
SMILESC[C@H](Nc1cncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-4(6(9)10)8-5-2-7-3-11-5/h2-4,8H,1H3,(H,9,10)/t4-/m0/s1
InChIKeyIWXYYBBSXLPWOR-BYPYZUCNSA-N
MW172.21 g/mol
LogP1.03
Rot. Bonds3

About (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid

(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid (PubChem CID 57008968) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid
PubChem CID57008968
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid
SMILESC[C@H](Nc1cncs1)C(=O)O
InChIInChI=1S/C6H8N2O2S/c1-4(6(9)10)8-5-2-7-3-11-5/h2-4,8H,1H3,(H,9,10)/t4-/m0/s1
InChIKeyIWXYYBBSXLPWOR-BYPYZUCNSA-N
XLogP1.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(1,3-thiazol-5-ylamino)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 (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid (CID 57008968) is (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid is C[C@H](Nc1cncs1)C(=O)O.
What is the InChIKey of (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid?
The InChIKey is IWXYYBBSXLPWOR-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4(6(9)10)8-5-2-7-3-11-5/h2-4,8H,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid?
(2S)-2-(1,3-thiazol-5-ylamino)propanoic acid has a molecular weight of 172.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-thiazol-5-ylamino)propanoic acid is sourced from PubChem (CID 57008968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).