2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone

C18H25N3O3S — CID 110814535

IUPAC2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1C
InChIInChI=1S/C18H25N3O3S/c1-13-9-14(3-4-16(13)24-2)10-17(22)20-5-7-21(8-6-20)18(23)15-11-25-12-19-15/h3-4,9,15,19H,5-8,10-12H2,1-2H3
InChIKeyKGLZHCDMFLORIP-UHFFFAOYSA-N
MW363.48 g/mol
LogP0.88
Rot. Bonds4

About 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone

2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110814535) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID110814535
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1C
InChIInChI=1S/C18H25N3O3S/c1-13-9-14(3-4-16(13)24-2)10-17(22)20-5-7-21(8-6-20)18(23)15-11-25-12-19-15/h3-4,9,15,19H,5-8,10-12H2,1-2H3
InChIKeyKGLZHCDMFLORIP-UHFFFAOYSA-N
XLogP0.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
2-(2,4-dimethylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814539
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124687871
1-[4-[2-(4-methoxy-3-methylphenyl)acetyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807403
2-(4-methoxy-3-methylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122342936
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
CID 82133342
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757203
[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119269754
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110800534
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone (CID 110814535) is 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KGLZHCDMFLORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13-9-14(3-4-16(13)24-2)10-17(22)20-5-7-21(8-6-20)18(23)15-11-25-12-19-15/h3-4,9,15,19H,5-8,10-12H2,1-2H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone?
2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 363.48 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110814535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).