2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol

C5H8N2OS — CID 83674191

IUPAC2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
SMILESCc1nsc(CCO)n1
InChIInChI=1S/C5H8N2OS/c1-4-6-5(2-3-8)9-7-4/h8H,2-3H2,1H3
InChIKeyCACYEZWVZHJUPR-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.38
Rot. Bonds2

About 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol

2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol (PubChem CID 83674191) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
PubChem CID83674191
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
SMILESCc1nsc(CCO)n1
InChIInChI=1S/C5H8N2OS/c1-4-6-5(2-3-8)9-7-4/h8H,2-3H2,1H3
InChIKeyCACYEZWVZHJUPR-UHFFFAOYSA-N
XLogP0.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol 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-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol (CID 83674191) is 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol is Cc1nsc(CCO)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
The InChIKey is CACYEZWVZHJUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-4-6-5(2-3-8)9-7-4/h8H,2-3H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol?
2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol has a molecular weight of 144.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol is sourced from PubChem (CID 83674191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).