7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol

C15H15N2OS2+ — CID 3247858

IUPAC7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol
SMILESOC1(c2cccs2)C[N+]2=C(SCC2)N1c1ccccc1
InChIInChI=1S/C15H15N2OS2/c18-15(13-7-4-9-19-13)11-16-8-10-20-14(16)17(15)12-5-2-1-3-6-12/h1-7,9,18H,8,10-11H2/q+1
InChIKeyGDGGIRIGMGBJQL-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.53
Rot. Bonds2

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

7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol (PubChem CID 3247858) has the molecular formula C15H15N2OS2+ and a molecular weight of 303.43 g/mol. Its IUPAC name is 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol.

Molecular Properties

Compound Name7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol
PubChem CID3247858
Molecular FormulaC15H15N2OS2+
Molecular Weight303.43 g/mol
Exact Mass303.06
IUPAC Name7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol
SMILESOC1(c2cccs2)C[N+]2=C(SCC2)N1c1ccccc1
InChIInChI=1S/C15H15N2OS2/c18-15(13-7-4-9-19-13)11-16-8-10-20-14(16)17(15)12-5-2-1-3-6-12/h1-7,9,18H,8,10-11H2/q+1
InChIKeyGDGGIRIGMGBJQL-UHFFFAOYSA-N
XLogP2.53
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol?
The IUPAC name of 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol (CID 3247858) is 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol.
What is the SMILES notation for 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol?
The canonical SMILES for 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol is OC1(c2cccs2)C[N+]2=C(SCC2)N1c1ccccc1.
What is the InChIKey of 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol?
The InChIKey is GDGGIRIGMGBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2OS2/c18-15(13-7-4-9-19-13)11-16-8-10-20-14(16)17(15)12-5-2-1-3-6-12/h1-7,9,18H,8,10-11H2/q+1.
What are the key properties of 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol?
7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol has a molecular weight of 303.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-thiophen-2-yl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium-6-ol is sourced from PubChem (CID 3247858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).