1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone

C18H18N4O2S — CID 134797922

IUPAC1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2ccccc2)CC1
InChIInChI=1S/C18H18N4O2S/c1-13(23)20-7-9-21(10-8-20)17(24)15-16(14-5-3-2-4-6-14)22-11-12-25-18(22)19-15/h2-6,11-12H,7-10H2,1H3
InChIKeyXDQIOYZTJQPNDZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone

1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 134797922) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID134797922
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2ccccc2)CC1
InChIInChI=1S/C18H18N4O2S/c1-13(23)20-7-9-21(10-8-20)17(24)15-16(14-5-3-2-4-6-14)22-11-12-25-18(22)19-15/h2-6,11-12H,7-10H2,1H3
InChIKeyXDQIOYZTJQPNDZ-UHFFFAOYSA-N
XLogP2.37
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone (CID 134797922) is 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2nc3sccn3c2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is XDQIOYZTJQPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13(23)20-7-9-21(10-8-20)17(24)15-16(14-5-3-2-4-6-14)22-11-12-25-18(22)19-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone?
1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 354.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-phenylimidazo[2,1-b][1,3]thiazole-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134797922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).