3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione

C14H13N3O2S — CID 64965734

IUPAC3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2nccs2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C14H13N3O2S/c18-11-8-17(9-12-15-6-7-20-12)14(19)13(16-11)10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,16,18)
InChIKeyQYBKFWNPPRALRL-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.34
Rot. Bonds3

About 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione

3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64965734) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
PubChem CID64965734
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2nccs2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C14H13N3O2S/c18-11-8-17(9-12-15-6-7-20-12)14(19)13(16-11)10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,16,18)
InChIKeyQYBKFWNPPRALRL-UHFFFAOYSA-N
XLogP1.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione (CID 64965734) is 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione is O=C1CN(Cc2nccs2)C(=O)C(c2ccccc2)N1.
What is the InChIKey of 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is QYBKFWNPPRALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-11-8-17(9-12-15-6-7-20-12)14(19)13(16-11)10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,16,18).
What are the key properties of 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 287.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64965734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).