6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole

C17H14N4O2S2 — CID 58662599

IUPAC6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2cn3nc(S(=O)(=O)Cc4ccccn4)sc3n2)cc1
InChIInChI=1S/C17H14N4O2S2/c1-12-5-7-13(8-6-12)15-10-21-16(19-15)24-17(20-21)25(22,23)11-14-4-2-3-9-18-14/h2-10H,11H2,1H3
InChIKeyQGQDODQLXGRJMM-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.14
Rot. Bonds4

About 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 58662599) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID58662599
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccc(-c2cn3nc(S(=O)(=O)Cc4ccccn4)sc3n2)cc1
InChIInChI=1S/C17H14N4O2S2/c1-12-5-7-13(8-6-12)15-10-21-16(19-15)24-17(20-21)25(22,23)11-14-4-2-3-9-18-14/h2-10H,11H2,1H3
InChIKeyQGQDODQLXGRJMM-UHFFFAOYSA-N
XLogP3.14
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)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

Related Compounds

6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 11314285
N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 135193669
bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 91559737
N-(2-pyridin-2-ylethyl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220980
6-[4-(4-hydroxyphenyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 143559942
N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462711
N-[4-(2-sulfamoylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 10150754
6-(3,4-dihydroxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 10308514
6-[4-(4-fluorophenoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 10287373
6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 21110249
2-bromo-1-pyridin-4-ylethanone;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide;hydrobromide
CID 158895129
2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 11623933

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 58662599) is 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1ccc(-c2cn3nc(S(=O)(=O)Cc4ccccn4)sc3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QGQDODQLXGRJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-12-5-7-13(8-6-12)15-10-21-16(19-15)24-17(20-21)25(22,23)11-14-4-2-3-9-18-14/h2-10H,11H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 370.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 58662599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).