1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone

C20H16N2OS — CID 7025058

IUPAC1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C
InChIInChI=1S/C20H16N2OS/c1-13-19(14(2)23)24-20-21-17(15-9-5-3-6-10-15)18(22(13)20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyZCBWIGPUECBTAL-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.24
Rot. Bonds3

About 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone

1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone (PubChem CID 7025058) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone
PubChem CID7025058
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C
InChIInChI=1S/C20H16N2OS/c1-13-19(14(2)23)24-20-21-17(15-9-5-3-6-10-15)18(22(13)20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyZCBWIGPUECBTAL-UHFFFAOYSA-N
XLogP5.24
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone (CID 7025058) is 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone is CC(=O)c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1C.
What is the InChIKey of 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone?
The InChIKey is ZCBWIGPUECBTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-19(14(2)23)24-20-21-17(15-9-5-3-6-10-15)18(22(13)20)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone?
1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone has a molecular weight of 332.43 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5,6-diphenylimidazo[2,1-b][1,3]thiazol-2-yl)ethanone is sourced from PubChem (CID 7025058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).