1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C18H23N3OS — CID 2538737

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cs1
InChIInChI=1S/C18H23N3OS/c1-13-5-4-6-17(14(13)2)20-7-9-21(10-8-20)18(22)11-16-12-23-15(3)19-16/h4-6,12H,7-11H2,1-3H3
InChIKeyKQMULBGVLFXRSC-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.96
Rot. Bonds3

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 2538737) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID2538737
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cs1
InChIInChI=1S/C18H23N3OS/c1-13-5-4-6-17(14(13)2)20-7-9-21(10-8-20)18(22)11-16-12-23-15(3)19-16/h4-6,12H,7-11H2,1-3H3
InChIKeyKQMULBGVLFXRSC-UHFFFAOYSA-N
XLogP2.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone 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 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 2538737) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCN(c3cccc(C)c3C)CC2)cs1.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is KQMULBGVLFXRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-4-6-17(14(13)2)20-7-9-21(10-8-20)18(22)11-16-12-23-15(3)19-16/h4-6,12H,7-11H2,1-3H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 329.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 2538737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).