6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

C18H17N2OS+ — CID 911689

IUPAC6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCOc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1
InChIInChI=1S/C18H17N2OS/c1-21-16-9-7-14(8-10-16)17-13-19-11-12-22-18(19)20(17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/q+1
InChIKeyULIXOOTVKPGXGZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.55
Rot. Bonds3

About 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 911689) has the molecular formula C18H17N2OS+ and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID911689
Molecular FormulaC18H17N2OS+
Molecular Weight309.41 g/mol
Exact Mass309.11
IUPAC Name6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCOc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1
InChIInChI=1S/C18H17N2OS/c1-21-16-9-7-14(8-10-16)17-13-19-11-12-22-18(19)20(17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/q+1
InChIKeyULIXOOTVKPGXGZ-UHFFFAOYSA-N
XLogP3.55
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (CID 911689) is 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is COc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is ULIXOOTVKPGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2OS/c1-21-16-9-7-14(8-10-16)17-13-19-11-12-22-18(19)20(17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3/q+1.
What are the key properties of 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium has a molecular weight of 309.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).