7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide

C18H17IN2S2 — CID 10366583

IUPAC7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide
SMILESC[n+]1c(-c2ccccc2)c(/C=C/c2cccs2)n2c1SCC2.[I-]
InChIInChI=1S/C18H17N2S2.HI/c1-19-17(14-6-3-2-4-7-14)16(20-11-13-22-18(19)20)10-9-15-8-5-12-21-15;/h2-10,12H,11,13H2,1H3;1H/q+1;/p-1/b10-9+;
InChIKeyYJRPFNITLNRGCE-RRABGKBLSA-M
MW452.39 g/mol
LogP1.32
Rot. Bonds3

About 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide

7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide (PubChem CID 10366583) has the molecular formula C18H17IN2S2 and a molecular weight of 452.39 g/mol. Its IUPAC name is 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide.

Molecular Properties

Compound Name7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide
PubChem CID10366583
Molecular FormulaC18H17IN2S2
Molecular Weight452.39 g/mol
Exact Mass451.99
IUPAC Name7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide
SMILESC[n+]1c(-c2ccccc2)c(/C=C/c2cccs2)n2c1SCC2.[I-]
InChIInChI=1S/C18H17N2S2.HI/c1-19-17(14-6-3-2-4-7-14)16(20-11-13-22-18(19)20)10-9-15-8-5-12-21-15;/h2-10,12H,11,13H2,1H3;1H/q+1;/p-1/b10-9+;
InChIKeyYJRPFNITLNRGCE-RRABGKBLSA-M
XLogP1.32
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
1-(4-Phenylthiazol-2-yl)-4-(thiophen-2-yl)-1h-imidazol-2-amine
CID 9927279
6-(4-Iodophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 868205
1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539908
1-phenyl-N-(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
CID 790545
5,6-Diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 12601281
5,6-Bis(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 13526382
6-Phenylimidazo[2,1-b]thiazole
CID 320232
3-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 336506
5-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 329952

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide?
The IUPAC name of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide (CID 10366583) is 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide.
What is the SMILES notation for 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide?
The canonical SMILES for 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide is C[n+]1c(-c2ccccc2)c(/C=C/c2cccs2)n2c1SCC2.[I-].
What is the InChIKey of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide?
The InChIKey is YJRPFNITLNRGCE-RRABGKBLSA-M. The full InChI is InChI=1S/C18H17N2S2.HI/c1-19-17(14-6-3-2-4-7-14)16(20-11-13-22-18(19)20)10-9-15-8-5-12-21-15;/h2-10,12H,11,13H2,1H3;1H/q+1;/p-1/b10-9+;.
What are the key properties of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide?
7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide has a molecular weight of 452.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium iodide is sourced from PubChem (CID 10366583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).