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

C23H21ClN4OS — CID 22575940

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H21ClN4OS/c24-18-8-6-17(7-9-18)21-15-28-20(16-30-23(28)25-21)14-22(29)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,15-16H,10-14H2
InChIKeyLHKXDYKIWCLECD-UHFFFAOYSA-N
MW436.97 g/mol
LogP4.61
Rot. Bonds4

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

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 22575940) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID22575940
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H21ClN4OS/c24-18-8-6-17(7-9-18)21-15-28-20(16-30-23(28)25-21)14-22(29)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,15-16H,10-14H2
InChIKeyLHKXDYKIWCLECD-UHFFFAOYSA-N
XLogP4.61
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 22575940) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is LHKXDYKIWCLECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c24-18-8-6-17(7-9-18)21-15-28-20(16-30-23(28)25-21)14-22(29)27-12-10-26(11-13-27)19-4-2-1-3-5-19/h1-9,15-16H,10-14H2.
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 436.97 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 22575940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).