5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol

C18H19N2OS+ — CID 4256556

IUPAC5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol
SMILESCc1ccc(C2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1
InChIInChI=1S/C18H19N2OS/c1-14-7-9-15(10-8-14)18(21)13-19(16-5-3-2-4-6-16)17-20(18)11-12-22-17/h2-10,21H,11-13H2,1H3/q+1
InChIKeyVISZQAJOSVWYIE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.78
Rot. Bonds2

About 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol

5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol (PubChem CID 4256556) has the molecular formula C18H19N2OS+ and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol.

Molecular Properties

Compound Name5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol
PubChem CID4256556
Molecular FormulaC18H19N2OS+
Molecular Weight311.43 g/mol
Exact Mass311.12
IUPAC Name5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol
SMILESCc1ccc(C2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1
InChIInChI=1S/C18H19N2OS/c1-14-7-9-15(10-8-14)18(21)13-19(16-5-3-2-4-6-16)17-20(18)11-12-22-17/h2-10,21H,11-13H2,1H3/q+1
InChIKeyVISZQAJOSVWYIE-UHFFFAOYSA-N
XLogP2.78
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_imine_ium(2)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
The IUPAC name of 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol (CID 4256556) is 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol.
What is the SMILES notation for 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
The canonical SMILES for 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol is Cc1ccc(C2(O)CN(c3ccccc3)C3=[N+]2CCS3)cc1.
What is the InChIKey of 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
The InChIKey is VISZQAJOSVWYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2OS/c1-14-7-9-15(10-8-14)18(21)13-19(16-5-3-2-4-6-16)17-20(18)11-12-22-17/h2-10,21H,11-13H2,1H3/q+1.
What are the key properties of 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol?
5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol has a molecular weight of 311.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-5-ol is sourced from PubChem (CID 4256556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).