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

C16H11N5S2 — CID 171716208

IUPAC2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3cc(-c4nccs4)nc3s2)c2ccccc21
InChIInChI=1S/C16H11N5S2/c1-20-8-11(10-4-2-3-5-13(10)20)14-19-21-9-12(18-16(21)23-14)15-17-6-7-22-15/h2-9H,1H3
InChIKeySDQYYLBHBJJHQH-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.07
Rot. Bonds2

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

2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 171716208) has the molecular formula C16H11N5S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID171716208
Molecular FormulaC16H11N5S2
Molecular Weight337.43 g/mol
Exact Mass337.05
IUPAC Name2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3cc(-c4nccs4)nc3s2)c2ccccc21
InChIInChI=1S/C16H11N5S2/c1-20-8-11(10-4-2-3-5-13(10)20)14-19-21-9-12(18-16(21)23-14)15-17-6-7-22-15/h2-9H,1H3
InChIKeySDQYYLBHBJJHQH-UHFFFAOYSA-N
XLogP4.07
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-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 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 171716208) is 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cn1cc(-c2nn3cc(-c4nccs4)nc3s2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is SDQYYLBHBJJHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5S2/c1-20-8-11(10-4-2-3-5-13(10)20)14-19-21-9-12(18-16(21)23-14)15-17-6-7-22-15/h2-9H,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 337.43 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 171716208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).