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

C13H16N4O2S — CID 34839065

IUPAC1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C13H16N4O2S/c1-10(18)15-2-4-16(5-3-15)12(19)8-11-9-17-6-7-20-13(17)14-11/h6-7,9H,2-5,8H2,1H3
InChIKeyMCZIUNVEEKPQEG-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.63
Rot. Bonds2

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

1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 34839065) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID34839065
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C13H16N4O2S/c1-10(18)15-2-4-16(5-3-15)12(19)8-11-9-17-6-7-20-13(17)14-11/h6-7,9H,2-5,8H2,1H3
InChIKeyMCZIUNVEEKPQEG-UHFFFAOYSA-N
XLogP0.63
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.63
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-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 34839065) is 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is CC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is MCZIUNVEEKPQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10(18)15-2-4-16(5-3-15)12(19)8-11-9-17-6-7-20-13(17)14-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(4-acetylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 292.36 g/mol, XLogP of 0.63, 2 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-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 34839065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).