4-propan-2-ylthiadiazole

C5H8N2S — CID 12522270

IUPAC4-propan-2-ylthiadiazole
SMILESCC(C)c1csnn1
InChIInChI=1S/C5H8N2S/c1-4(2)5-3-8-7-6-5/h3-4H,1-2H3
InChIKeyPBWYAWUCDLKCCJ-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.66
Rot. Bonds1

About 4-propan-2-ylthiadiazole

4-propan-2-ylthiadiazole (PubChem CID 12522270) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name4-propan-2-ylthiadiazole
PubChem CID12522270
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name4-propan-2-ylthiadiazole
SMILESCC(C)c1csnn1
InChIInChI=1S/C5H8N2S/c1-4(2)5-3-8-7-6-5/h3-4H,1-2H3
InChIKeyPBWYAWUCDLKCCJ-UHFFFAOYSA-N
XLogP1.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-ylthiadiazole 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 4-propan-2-ylthiadiazole?
The IUPAC name of 4-propan-2-ylthiadiazole (CID 12522270) is 4-propan-2-ylthiadiazole.
What is the SMILES notation for 4-propan-2-ylthiadiazole?
The canonical SMILES for 4-propan-2-ylthiadiazole is CC(C)c1csnn1.
What is the InChIKey of 4-propan-2-ylthiadiazole?
The InChIKey is PBWYAWUCDLKCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4(2)5-3-8-7-6-5/h3-4H,1-2H3.
What are the key properties of 4-propan-2-ylthiadiazole?
4-propan-2-ylthiadiazole has a molecular weight of 128.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylthiadiazole is sourced from PubChem (CID 12522270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).