6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole

C12H10ClN3S2 — CID 3497331

IUPAC6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3ccccc3Cl)nc2s1
InChIInChI=1S/C12H10ClN3S2/c1-2-17-12-15-16-7-10(14-11(16)18-12)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyVQRHFRZMUVIEOL-UHFFFAOYSA-N
MW295.82 g/mol
LogP4.22
Rot. Bonds3

About 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole

6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3497331) has the molecular formula C12H10ClN3S2 and a molecular weight of 295.82 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3497331
Molecular FormulaC12H10ClN3S2
Molecular Weight295.82 g/mol
Exact Mass295.00
IUPAC Name6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3ccccc3Cl)nc2s1
InChIInChI=1S/C12H10ClN3S2/c1-2-17-12-15-16-7-10(14-11(16)18-12)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
InChIKeyVQRHFRZMUVIEOL-UHFFFAOYSA-N
XLogP4.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[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-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (CID 3497331) is 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is CCSc1nn2cc(-c3ccccc3Cl)nc2s1.
What is the InChIKey of 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VQRHFRZMUVIEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S2/c1-2-17-12-15-16-7-10(14-11(16)18-12)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 295.82 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3497331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).