3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C23H23N5OS — CID 27377025

IUPAC3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H23N5OS/c29-22(27-14-12-26(13-15-27)21-8-4-5-11-24-21)10-9-19-17-30-23-25-20(16-28(19)23)18-6-2-1-3-7-18/h1-8,11,16-17H,9-10,12-15H2
InChIKeyVOEKXHHRVGSUFY-UHFFFAOYSA-N
MW417.54 g/mol
LogP3.74
Rot. Bonds5

About 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 27377025) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID27377025
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H23N5OS/c29-22(27-14-12-26(13-15-27)21-8-4-5-11-24-21)10-9-19-17-30-23-25-20(16-28(19)23)18-6-2-1-3-7-18/h1-8,11,16-17H,9-10,12-15H2
InChIKeyVOEKXHHRVGSUFY-UHFFFAOYSA-N
XLogP3.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 27377025) is 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1csc2nc(-c3ccccc3)cn12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is VOEKXHHRVGSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c29-22(27-14-12-26(13-15-27)21-8-4-5-11-24-21)10-9-19-17-30-23-25-20(16-28(19)23)18-6-2-1-3-7-18/h1-8,11,16-17H,9-10,12-15H2.
What are the key properties of 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 417.54 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 27377025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).