6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole

C21H18N4O2S — CID 155562795

IUPAC6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(OC)c(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1
InChIInChI=1S/C21H18N4O2S/c1-24-11-16(14-6-4-5-7-18(14)24)20-23-25-12-17(22-21(25)28-20)15-10-13(26-2)8-9-19(15)27-3/h4-12H,1-3H3
InChIKeyCUOJOIRFZTVRBC-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.63
Rot. Bonds4

About 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 155562795) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID155562795
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(OC)c(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1
InChIInChI=1S/C21H18N4O2S/c1-24-11-16(14-6-4-5-7-18(14)24)20-23-25-12-17(22-21(25)28-20)15-10-13(26-2)8-9-19(15)27-3/h4-12H,1-3H3
InChIKeyCUOJOIRFZTVRBC-UHFFFAOYSA-N
XLogP4.63
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[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-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 155562795) is 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(OC)c(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CUOJOIRFZTVRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-24-11-16(14-6-4-5-7-18(14)24)20-23-25-12-17(22-21(25)28-20)15-10-13(26-2)8-9-19(15)27-3/h4-12H,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 390.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 155562795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).