5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C13H13N3S — CID 107646481

IUPAC5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1c(-c2ccccc2)nc2sc(C)nn12
InChIInChI=1S/C13H13N3S/c1-3-11-12(10-7-5-4-6-8-10)14-13-16(11)15-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyCBHLEIBKCVEBKU-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.33
Rot. Bonds2

About 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646481) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646481
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1c(-c2ccccc2)nc2sc(C)nn12
InChIInChI=1S/C13H13N3S/c1-3-11-12(10-7-5-4-6-8-10)14-13-16(11)15-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyCBHLEIBKCVEBKU-UHFFFAOYSA-N
XLogP3.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-2-methyl-6-phenylimidazo[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 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646481) is 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is CCc1c(-c2ccccc2)nc2sc(C)nn12.
What is the InChIKey of 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CBHLEIBKCVEBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-3-11-12(10-7-5-4-6-8-10)14-13-16(11)15-9(2)17-13/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 243.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).