[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C16H21N3O2S — CID 110802108

IUPAC[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C16H21N3O2S/c1-12-4-2-3-5-13(12)15(20)18-6-8-19(9-7-18)16(21)14-10-22-11-17-14/h2-5,14,17H,6-11H2,1H3
InChIKeyALWAJISTWWITGL-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.94
Rot. Bonds2

About [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110802108) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110802108
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C16H21N3O2S/c1-12-4-2-3-5-13(12)15(20)18-6-8-19(9-7-18)16(21)14-10-22-11-17-14/h2-5,14,17H,6-11H2,1H3
InChIKeyALWAJISTWWITGL-UHFFFAOYSA-N
XLogP0.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone 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

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110810557
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814495
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
2-(2,4-dimethylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814539
[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110808440
[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814149
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119876978
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110802108) is [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is Cc1ccccc1C(=O)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is ALWAJISTWWITGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12-4-2-3-5-13(12)15(20)18-6-8-19(9-7-18)16(21)14-10-22-11-17-14/h2-5,14,17H,6-11H2,1H3.
What are the key properties of [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110802108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).