1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone

C18H21N3O2S — CID 51099127

IUPAC1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2csc(-c3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C18H21N3O2S/c1-12-4-5-15(13(2)10-12)17-19-16(11-24-17)18(23)21-8-6-20(7-9-21)14(3)22/h4-5,10-11H,6-9H2,1-3H3
InChIKeyXVXKVFJQILSRBB-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.73
Rot. Bonds2

About 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 51099127) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID51099127
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2csc(-c3ccc(C)cc3C)n2)CC1
InChIInChI=1S/C18H21N3O2S/c1-12-4-5-15(13(2)10-12)17-19-16(11-24-17)18(23)21-8-6-20(7-9-21)14(3)22/h4-5,10-11H,6-9H2,1-3H3
InChIKeyXVXKVFJQILSRBB-UHFFFAOYSA-N
XLogP2.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-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-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone (CID 51099127) is 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2csc(-c3ccc(C)cc3C)n2)CC1.
What is the InChIKey of 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is XVXKVFJQILSRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-4-5-15(13(2)10-12)17-19-16(11-24-17)18(23)21-8-6-20(7-9-21)14(3)22/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 343.45 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dimethylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 51099127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).