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

C18H15N2S2+ — CID 10389045

IUPAC7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium
SMILESC[n+]1c(-c2ccccc2)c(/C=C/c2cccs2)n2ccsc21
InChIInChI=1S/C18H15N2S2/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/h2-13H,1H3/q+1/b10-9+
InChIKeyRRRIQGWNSJZTCF-MDZDMXLPSA-N
MW323.47 g/mol
LogP4.72
Rot. Bonds3

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

7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium (PubChem CID 10389045) has the molecular formula C18H15N2S2+ and a molecular weight of 323.47 g/mol. Its IUPAC name is 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium.

Molecular Properties

Compound Name7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium
PubChem CID10389045
Molecular FormulaC18H15N2S2+
Molecular Weight323.47 g/mol
Exact Mass323.07
IUPAC Name7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium
SMILESC[n+]1c(-c2ccccc2)c(/C=C/c2cccs2)n2ccsc21
InChIInChI=1S/C18H15N2S2/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/h2-13H,1H3/q+1/b10-9+
InChIKeyRRRIQGWNSJZTCF-MDZDMXLPSA-N
XLogP4.72
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.72
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 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium?
The IUPAC name of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium (CID 10389045) is 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium.
What is the SMILES notation for 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium?
The canonical SMILES for 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium is C[n+]1c(-c2ccccc2)c(/C=C/c2cccs2)n2ccsc21.
What is the InChIKey of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium?
The InChIKey is RRRIQGWNSJZTCF-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15N2S2/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/h2-13H,1H3/q+1/b10-9+.
What are the key properties of 7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium?
7-methyl-6-phenyl-5-[(E)-2-thiophen-2-ylethenyl]imidazo[2,1-b][1,3]thiazol-7-ium has a molecular weight of 323.47 g/mol, XLogP of 4.72, 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]imidazo[2,1-b][1,3]thiazol-7-ium is sourced from PubChem (CID 10389045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).