3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

C5H8N2OS2 — CID 43388629

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESOCCCSc1nncs1
InChIInChI=1S/C5H8N2OS2/c8-2-1-3-9-5-7-6-4-10-5/h4,8H,1-3H2
InChIKeyKEODWDLHLJQVLM-UHFFFAOYSA-N
MW176.27 g/mol
LogP1.01
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (PubChem CID 43388629) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
PubChem CID43388629
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESOCCCSc1nncs1
InChIInChI=1S/C5H8N2OS2/c8-2-1-3-9-5-7-6-4-10-5/h4,8H,1-3H2
InChIKeyKEODWDLHLJQVLM-UHFFFAOYSA-N
XLogP1.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol 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-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (CID 43388629) is 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is OCCCSc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is KEODWDLHLJQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c8-2-1-3-9-5-7-6-4-10-5/h4,8H,1-3H2.
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 176.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 43388629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).