1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

C15H17N3OS — CID 52903593

IUPAC1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N2CCNCC2)nc1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-11(19)14-13(12-5-3-2-4-6-12)17-15(20-14)18-9-7-16-8-10-18/h2-6,16H,7-10H2,1H3
InChIKeyAXXJFMSQGBBWKI-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 52903593) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID52903593
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(N2CCNCC2)nc1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-11(19)14-13(12-5-3-2-4-6-12)17-15(20-14)18-9-7-16-8-10-18/h2-6,16H,7-10H2,1H3
InChIKeyAXXJFMSQGBBWKI-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (CID 52903593) is 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(N2CCNCC2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is AXXJFMSQGBBWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11(19)14-13(12-5-3-2-4-6-12)17-15(20-14)18-9-7-16-8-10-18/h2-6,16H,7-10H2,1H3.
What are the key properties of 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 287.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 52903593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).