(6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one

C15H17N3OS — CID 122600784

IUPAC(6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one
SMILESO=C1CNC[C@H](Cc2ccccc2)N1Cc1nccs1
InChIInChI=1S/C15H17N3OS/c19-15-10-16-9-13(8-12-4-2-1-3-5-12)18(15)11-14-17-6-7-20-14/h1-7,13,16H,8-11H2/t13-/m0/s1
InChIKeyOIJDIBKZENVFCC-ZDUSSCGKSA-N
MW287.39 g/mol
LogP1.69
Rot. Bonds4

About (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one

(6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one (PubChem CID 122600784) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one
PubChem CID122600784
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one
SMILESO=C1CNC[C@H](Cc2ccccc2)N1Cc1nccs1
InChIInChI=1S/C15H17N3OS/c19-15-10-16-9-13(8-12-4-2-1-3-5-12)18(15)11-14-17-6-7-20-14/h1-7,13,16H,8-11H2/t13-/m0/s1
InChIKeyOIJDIBKZENVFCC-ZDUSSCGKSA-N
XLogP1.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one?
The IUPAC name of (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one (CID 122600784) is (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one?
The canonical SMILES for (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one is O=C1CNC[C@H](Cc2ccccc2)N1Cc1nccs1.
What is the InChIKey of (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one?
The InChIKey is OIJDIBKZENVFCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15-10-16-9-13(8-12-4-2-1-3-5-12)18(15)11-14-17-6-7-20-14/h1-7,13,16H,8-11H2/t13-/m0/s1.
What are the key properties of (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one?
(6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one has a molecular weight of 287.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-1-(1,3-thiazol-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 122600784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).