2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

C26H27N5O2S — CID 55652012

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)Cc4csc(Cc5ccccc5)n4)CC3)n2)cc1
InChIInChI=1S/C26H27N5O2S/c1-19-7-9-21(10-8-19)26-28-23(33-29-26)17-30-11-13-31(14-12-30)25(32)16-22-18-34-24(27-22)15-20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3
InChIKeyLGDFRMKJGOFKID-UHFFFAOYSA-N
MW473.60 g/mol
LogP3.98
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 55652012) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID55652012
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)Cc4csc(Cc5ccccc5)n4)CC3)n2)cc1
InChIInChI=1S/C26H27N5O2S/c1-19-7-9-21(10-8-19)26-28-23(33-29-26)17-30-11-13-31(14-12-30)25(32)16-22-18-34-24(27-22)15-20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3
InChIKeyLGDFRMKJGOFKID-UHFFFAOYSA-N
XLogP3.98
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]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

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55616168
3-(4-methylphenyl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 16625869
2-amino-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119840001
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55862525
2-[4-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39944903
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-prop-2-enylsulfanylethanone
CID 55791253
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 46521299
1-(4-benzylpiperazin-1-yl)-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386215

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone (CID 55652012) is 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone is Cc1ccc(-c2noc(CN3CCN(C(=O)Cc4csc(Cc5ccccc5)n4)CC3)n2)cc1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is LGDFRMKJGOFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-19-7-9-21(10-8-19)26-28-23(33-29-26)17-30-11-13-31(14-12-30)25(32)16-22-18-34-24(27-22)15-20-5-3-2-4-6-20/h2-10,18H,11-17H2,1H3.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone?
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 473.60 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55652012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).