6-pentylimidazo[2,1-b][1,3,4]thiadiazole

C9H13N3S — CID 126713602

IUPAC6-pentylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCCc1cn2ncsc2n1
InChIInChI=1S/C9H13N3S/c1-2-3-4-5-8-6-12-9(11-8)13-7-10-12/h6-7H,2-5H2,1H3
InChIKeyFLKURSVNFHKMMR-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.52
Rot. Bonds4

About 6-pentylimidazo[2,1-b][1,3,4]thiadiazole

6-pentylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 126713602) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-pentylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-pentylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID126713602
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-pentylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCCCCc1cn2ncsc2n1
InChIInChI=1S/C9H13N3S/c1-2-3-4-5-8-6-12-9(11-8)13-7-10-12/h6-7H,2-5H2,1H3
InChIKeyFLKURSVNFHKMMR-UHFFFAOYSA-N
XLogP2.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-pentylimidazo[2,1-b][1,3,4]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 6-pentylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-pentylimidazo[2,1-b][1,3,4]thiadiazole (CID 126713602) is 6-pentylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-pentylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-pentylimidazo[2,1-b][1,3,4]thiadiazole is CCCCCc1cn2ncsc2n1.
What is the InChIKey of 6-pentylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FLKURSVNFHKMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-3-4-5-8-6-12-9(11-8)13-7-10-12/h6-7H,2-5H2,1H3.
What are the key properties of 6-pentylimidazo[2,1-b][1,3,4]thiadiazole?
6-pentylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 126713602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).