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

C19H19ClN4O2S — CID 7522336

IUPAC1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1
InChIInChI=1S/C19H19ClN4O2S/c1-13(25)22-6-8-23(9-7-22)18(26)10-16-12-27-19-21-17(11-24(16)19)14-2-4-15(20)5-3-14/h2-5,11-12H,6-10H2,1H3
InChIKeyWJEJCYCZJMKBOA-UHFFFAOYSA-N
MW402.91 g/mol
LogP2.95
Rot. Bonds3

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

1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (PubChem CID 7522336) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
PubChem CID7522336
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1
InChIInChI=1S/C19H19ClN4O2S/c1-13(25)22-6-8-23(9-7-22)18(26)10-16-12-27-19-21-17(11-24(16)19)14-2-4-15(20)5-3-14/h2-5,11-12H,6-10H2,1H3
InChIKeyWJEJCYCZJMKBOA-UHFFFAOYSA-N
XLogP2.95
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (CID 7522336) is 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is CC(=O)N1CCN(C(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The InChIKey is WJEJCYCZJMKBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-13(25)22-6-8-23(9-7-22)18(26)10-16-12-27-19-21-17(11-24(16)19)14-2-4-15(20)5-3-14/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone has a molecular weight of 402.91 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is sourced from PubChem (CID 7522336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).