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

C16H19N3OS — CID 154802265

IUPAC1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(10-15-11-17-13-21-15)19-8-6-18(7-9-19)12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2
InChIKeyOWQPSTAOLINGOS-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.03
Rot. Bonds4

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

1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 154802265) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID154802265
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(10-15-11-17-13-21-15)19-8-6-18(7-9-19)12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2
InChIKeyOWQPSTAOLINGOS-UHFFFAOYSA-N
XLogP2.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 154802265) is 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is OWQPSTAOLINGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(10-15-11-17-13-21-15)19-8-6-18(7-9-19)12-14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 301.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 154802265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).