3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one

C23H16N4OS3 — CID 15954494

IUPAC3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(-c3ccccc3)nc3sc(-c4cccs4)nn23)N1c1ccccc1
InChIInChI=1S/C23H16N4OS3/c28-18-14-30-22(26(18)16-10-5-2-6-11-16)20-19(15-8-3-1-4-9-15)24-23-27(20)25-21(31-23)17-12-7-13-29-17/h1-13,22H,14H2
InChIKeyLOWYGGYSFOKICV-UHFFFAOYSA-N
MW460.61 g/mol
LogP5.96
Rot. Bonds4

About 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one

3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 15954494) has the molecular formula C23H16N4OS3 and a molecular weight of 460.61 g/mol. Its IUPAC name is 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID15954494
Molecular FormulaC23H16N4OS3
Molecular Weight460.61 g/mol
Exact Mass460.05
IUPAC Name3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(-c3ccccc3)nc3sc(-c4cccs4)nn23)N1c1ccccc1
InChIInChI=1S/C23H16N4OS3/c28-18-14-30-22(26(18)16-10-5-2-6-11-16)20-19(15-8-3-1-4-9-15)24-23-27(20)25-21(31-23)17-12-7-13-29-17/h1-13,22H,14H2
InChIKeyLOWYGGYSFOKICV-UHFFFAOYSA-N
XLogP5.96
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one (CID 15954494) is 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(-c3ccccc3)nc3sc(-c4cccs4)nn23)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is LOWYGGYSFOKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS3/c28-18-14-30-22(26(18)16-10-5-2-6-11-16)20-19(15-8-3-1-4-9-15)24-23-27(20)25-21(31-23)17-12-7-13-29-17/h1-13,22H,14H2.
What are the key properties of 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one?
3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 460.61 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(6-phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15954494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).