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

C15H15N3O2S — CID 64965769

IUPAC3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(Cc2nccs2)C1=O
InChIInChI=1S/C15H15N3O2S/c1-15(11-5-3-2-4-6-11)14(20)18(9-12(19)17-15)10-13-16-7-8-21-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyAJYHUEABZXKOSS-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.52
Rot. Bonds3

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

3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64965769) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
PubChem CID64965769
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)CN(Cc2nccs2)C1=O
InChIInChI=1S/C15H15N3O2S/c1-15(11-5-3-2-4-6-11)14(20)18(9-12(19)17-15)10-13-16-7-8-21-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyAJYHUEABZXKOSS-UHFFFAOYSA-N
XLogP1.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione (CID 64965769) is 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione is CC1(c2ccccc2)NC(=O)CN(Cc2nccs2)C1=O.
What is the InChIKey of 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is AJYHUEABZXKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-15(11-5-3-2-4-6-11)14(20)18(9-12(19)17-15)10-13-16-7-8-21-13/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 301.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64965769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).