2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone

C21H27N3O2S — CID 110368094

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)s1
InChIInChI=1S/C21H27N3O2S/c1-14(2)17-5-7-18(8-6-17)21(26)24-11-9-23(10-12-24)20(25)13-19-15(3)22-16(4)27-19/h5-8,14H,9-13H2,1-4H3
InChIKeyVOQXCNUBFILWLB-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.41
Rot. Bonds4

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 110368094) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
PubChem CID110368094
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
SMILESCc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)s1
InChIInChI=1S/C21H27N3O2S/c1-14(2)17-5-7-18(8-6-17)21(26)24-11-9-23(10-12-24)20(25)13-19-15(3)22-16(4)27-19/h5-8,14H,9-13H2,1-4H3
InChIKeyVOQXCNUBFILWLB-UHFFFAOYSA-N
XLogP3.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)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

Related Compounds

1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 110368119
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 70780037
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110368132
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
3,3-dimethyl-1-[4-(4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110798419
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
2-(1-methylpyrrol-3-yl)-1-[4-(4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110816466
2-(4-fluorophenyl)sulfanyl-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 38028139
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 110815393

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone (CID 110368094) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is Cc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is VOQXCNUBFILWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-14(2)17-5-7-18(8-6-17)21(26)24-11-9-23(10-12-24)20(25)13-19-15(3)22-16(4)27-19/h5-8,14H,9-13H2,1-4H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 385.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110368094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).