3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

C24H23ClN4OS — CID 30939691

IUPAC3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H23ClN4OS/c25-19-8-6-18(7-9-19)22-16-29-21(17-31-24(29)26-22)10-11-23(30)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h1-9,16-17H,10-15H2
InChIKeyULWQDNSVPCYBNT-UHFFFAOYSA-N
MW451.00 g/mol
LogP5.00
Rot. Bonds5

About 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 30939691) has the molecular formula C24H23ClN4OS and a molecular weight of 451.00 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID30939691
Molecular FormulaC24H23ClN4OS
Molecular Weight451.00 g/mol
Exact Mass450.13
IUPAC Name3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H23ClN4OS/c25-19-8-6-18(7-9-19)22-16-29-21(17-31-24(29)26-22)10-11-23(30)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h1-9,16-17H,10-15H2
InChIKeyULWQDNSVPCYBNT-UHFFFAOYSA-N
XLogP5.00
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.00
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30939669
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038670
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)propanamide
CID 27377169
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 30940072
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
CID 39161884
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038678
N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939931

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 30939691) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is ULWQDNSVPCYBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4OS/c25-19-8-6-18(7-9-19)22-16-29-21(17-31-24(29)26-22)10-11-23(30)28-14-12-27(13-15-28)20-4-2-1-3-5-20/h1-9,16-17H,10-15H2.
What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 451.00 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 30939691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).