3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole

C36H28N4S2 — CID 139037455

IUPAC3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn12.Cc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/2C18H14N2S/c2*1-13-17(15-10-6-3-7-11-15)21-18-19-16(12-20(13)18)14-8-4-2-5-9-14/h2*2-12H,1H3
InChIKeyYOYXXXVRGXERSE-UHFFFAOYSA-N
MW580.78 g/mol
LogP10.08
Rot. Bonds4

About 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole

3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole (PubChem CID 139037455) has the molecular formula C36H28N4S2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole
PubChem CID139037455
Molecular FormulaC36H28N4S2
Molecular Weight580.78 g/mol
Exact Mass580.18
IUPAC Name3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn12.Cc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/2C18H14N2S/c2*1-13-17(15-10-6-3-7-11-15)21-18-19-16(12-20(13)18)14-8-4-2-5-9-14/h2*2-12H,1H3
InChIKeyYOYXXXVRGXERSE-UHFFFAOYSA-N
XLogP10.08
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pifithrin-Beta
CID 443278
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
2-(4-Pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 11509560
3-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 336506
N-benzyl-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 800766
CID 6603392
CID 6603392
2-[(4-Fluorophenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole
CID 7456485
2-(4-Methylbenzyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 15991403
2-Benzyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991407
6-(4-Fluorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3]thiazole
CID 15991408
2-(4-Fluorobenzyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 15991412
2-[6-(4-fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl]-N,N-dimethylethanamine
CID 44579352

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole (CID 139037455) is 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole is Cc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn12.Cc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is YOYXXXVRGXERSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N2S/c2*1-13-17(15-10-6-3-7-11-15)21-18-19-16(12-20(13)18)14-8-4-2-5-9-14/h2*2-12H,1H3.
What are the key properties of 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole?
3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 580.78 g/mol, XLogP of 10.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139037455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).