2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid

C6H8N2O2S2 — CID 38996181

IUPAC2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid
SMILESNc1nc(CSCC(=O)O)cs1
InChIInChI=1S/C6H8N2O2S2/c7-6-8-4(2-12-6)1-11-3-5(9)10/h2H,1,3H2,(H2,7,8)(H,9,10)
InChIKeyHJGCGBONOSWMAT-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.04
Rot. Bonds4

About 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid

2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid (PubChem CID 38996181) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid
PubChem CID38996181
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid
SMILESNc1nc(CSCC(=O)O)cs1
InChIInChI=1S/C6H8N2O2S2/c7-6-8-4(2-12-6)1-11-3-5(9)10/h2H,1,3H2,(H2,7,8)(H,9,10)
InChIKeyHJGCGBONOSWMAT-UHFFFAOYSA-N
XLogP1.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]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-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid (CID 38996181) is 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid is Nc1nc(CSCC(=O)O)cs1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
The InChIKey is HJGCGBONOSWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c7-6-8-4(2-12-6)1-11-3-5(9)10/h2H,1,3H2,(H2,7,8)(H,9,10).
What are the key properties of 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid?
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid has a molecular weight of 204.28 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 38996181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).