6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole

C18H14N2O2S2 — CID 15388847

IUPAC6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc3sccn3c2-c2ccccc2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-23-18(20)19-16/h2-12H,1H3
InChIKeyPBVNPUDMDSWVMI-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.13
Rot. Bonds3

About 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole

6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 15388847) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID15388847
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1ccc(-c2nc3sccn3c2-c2ccccc2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-23-18(20)19-16/h2-12H,1H3
InChIKeyPBVNPUDMDSWVMI-UHFFFAOYSA-N
XLogP4.13
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole (CID 15388847) is 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole is CS(=O)(=O)c1ccc(-c2nc3sccn3c2-c2ccccc2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is PBVNPUDMDSWVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-24(21,22)15-9-7-13(8-10-15)16-17(14-5-3-2-4-6-14)20-11-12-23-18(20)19-16/h2-12H,1H3.
What are the key properties of 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole?
6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 354.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-5-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 15388847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).