4-(1-pyrrol-1-ylethyl)thiadiazole

C8H9N3S — CID 131219202

IUPAC4-(1-pyrrol-1-ylethyl)thiadiazole
SMILESCC(c1csnn1)n1cccc1
InChIInChI=1S/C8H9N3S/c1-7(8-6-12-10-9-8)11-4-2-3-5-11/h2-7H,1H3
InChIKeySIJWLRPVQRVNKV-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.95
Rot. Bonds2

About 4-(1-pyrrol-1-ylethyl)thiadiazole

4-(1-pyrrol-1-ylethyl)thiadiazole (PubChem CID 131219202) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4-(1-pyrrol-1-ylethyl)thiadiazole.

Molecular Properties

Compound Name4-(1-pyrrol-1-ylethyl)thiadiazole
PubChem CID131219202
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4-(1-pyrrol-1-ylethyl)thiadiazole
SMILESCC(c1csnn1)n1cccc1
InChIInChI=1S/C8H9N3S/c1-7(8-6-12-10-9-8)11-4-2-3-5-11/h2-7H,1H3
InChIKeySIJWLRPVQRVNKV-UHFFFAOYSA-N
XLogP1.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-pyrrol-1-ylethyl)thiadiazole 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-(1-pyrrol-1-ylethyl)thiadiazole?
The IUPAC name of 4-(1-pyrrol-1-ylethyl)thiadiazole (CID 131219202) is 4-(1-pyrrol-1-ylethyl)thiadiazole.
What is the SMILES notation for 4-(1-pyrrol-1-ylethyl)thiadiazole?
The canonical SMILES for 4-(1-pyrrol-1-ylethyl)thiadiazole is CC(c1csnn1)n1cccc1.
What is the InChIKey of 4-(1-pyrrol-1-ylethyl)thiadiazole?
The InChIKey is SIJWLRPVQRVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-7(8-6-12-10-9-8)11-4-2-3-5-11/h2-7H,1H3.
What are the key properties of 4-(1-pyrrol-1-ylethyl)thiadiazole?
4-(1-pyrrol-1-ylethyl)thiadiazole has a molecular weight of 179.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrrol-1-ylethyl)thiadiazole is sourced from PubChem (CID 131219202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).