3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol

C6H10N2S2 — CID 57258567

IUPAC3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol
SMILESNCCC(S)c1ccsn1
InChIInChI=1S/C6H10N2S2/c7-3-1-6(9)5-2-4-10-8-5/h2,4,6,9H,1,3,7H2
InChIKeyYOVYTFPUUBKAHC-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol

3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol (PubChem CID 57258567) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol.

Molecular Properties

Compound Name3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol
PubChem CID57258567
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol
SMILESNCCC(S)c1ccsn1
InChIInChI=1S/C6H10N2S2/c7-3-1-6(9)5-2-4-10-8-5/h2,4,6,9H,1,3,7H2
InChIKeyYOVYTFPUUBKAHC-UHFFFAOYSA-N
XLogP1.46
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol 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 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol?
The IUPAC name of 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol (CID 57258567) is 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol.
What is the SMILES notation for 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol?
The canonical SMILES for 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol is NCCC(S)c1ccsn1.
What is the InChIKey of 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol?
The InChIKey is YOVYTFPUUBKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c7-3-1-6(9)5-2-4-10-8-5/h2,4,6,9H,1,3,7H2.
What are the key properties of 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol?
3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol has a molecular weight of 174.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1,2-thiazol-3-yl)propane-1-thiol is sourced from PubChem (CID 57258567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).