(5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one

C14H15N3OS — CID 164633273

IUPAC(5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccns2)[C@H](c2ccccc2)CN1
InChIInChI=1S/C14H15N3OS/c18-14-10-17(9-12-6-7-16-19-12)13(8-15-14)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,15,18)/t13-/m0/s1
InChIKeyFSZARWODLHACKG-ZDUSSCGKSA-N
MW273.36 g/mol
LogP1.82
Rot. Bonds3

About (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one

(5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one (PubChem CID 164633273) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one
PubChem CID164633273
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccns2)[C@H](c2ccccc2)CN1
InChIInChI=1S/C14H15N3OS/c18-14-10-17(9-12-6-7-16-19-12)13(8-15-14)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,15,18)/t13-/m0/s1
InChIKeyFSZARWODLHACKG-ZDUSSCGKSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one?
The IUPAC name of (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one (CID 164633273) is (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one?
The canonical SMILES for (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one is O=C1CN(Cc2ccns2)[C@H](c2ccccc2)CN1.
What is the InChIKey of (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one?
The InChIKey is FSZARWODLHACKG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-14-10-17(9-12-6-7-16-19-12)13(8-15-14)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,15,18)/t13-/m0/s1.
What are the key properties of (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one?
(5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one has a molecular weight of 273.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-4-(1,2-thiazol-5-ylmethyl)piperazin-2-one is sourced from PubChem (CID 164633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).