5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

C18H17N2OS+ — CID 913304

IUPAC5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCOc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1
InChIInChI=1S/C18H17N2OS/c1-21-16-9-7-14(8-10-16)17-13-20(15-5-3-2-4-6-15)18-19(17)11-12-22-18/h2-10,13H,11-12H2,1H3/q+1
InChIKeyJTPOILAPENLVRK-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.55
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 913304) has the molecular formula C18H17N2OS+ and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID913304
Molecular FormulaC18H17N2OS+
Molecular Weight309.41 g/mol
Exact Mass309.11
IUPAC Name5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCOc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1
InChIInChI=1S/C18H17N2OS/c1-21-16-9-7-14(8-10-16)17-13-20(15-5-3-2-4-6-15)18-19(17)11-12-22-18/h2-10,13H,11-12H2,1H3/q+1
InChIKeyJTPOILAPENLVRK-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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Related Compounds

Imidazo(2,1-b)thiazole, 6-(4-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butoxy)phenyl)-
CID 9868983
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
2-(4-Methoxy-phenyl)-3-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 16682547
4-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
CID 700755
1-[(4-methoxyphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539903
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
2-(4-Difluoromethoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 1387702
2-(4-methoxyphenyl)-3-methyl-5H-imidazo[2,1-a]isoindole
CID 3847246
1-(4-Methoxy-phenyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16235770

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (CID 913304) is 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is COc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCS3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is JTPOILAPENLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2OS/c1-21-16-9-7-14(8-10-16)17-13-20(15-5-3-2-4-6-15)18-19(17)11-12-22-18/h2-10,13H,11-12H2,1H3/q+1.
What are the key properties of 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
5-(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 5-(4-methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 913304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).