5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C17H12N2OS — CID 738804

IUPAC5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=C1CSc2nc(-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C17H12N2OS/c20-14-11-21-17-18-15(12-7-3-1-4-8-12)16(19(14)17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHTVCSGZJKQCROL-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.96
Rot. Bonds2

About 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 738804) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID738804
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=C1CSc2nc(-c3ccccc3)c(-c3ccccc3)n21
InChIInChI=1S/C17H12N2OS/c20-14-11-21-17-18-15(12-7-3-1-4-8-12)16(19(14)17)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHTVCSGZJKQCROL-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one (CID 738804) is 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is O=C1CSc2nc(-c3ccccc3)c(-c3ccccc3)n21.
What is the InChIKey of 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is HTVCSGZJKQCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-14-11-21-17-18-15(12-7-3-1-4-8-12)16(19(14)17)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one?
5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 292.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 738804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).