2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

C16H23N3OS — CID 42795826

IUPAC2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CCN1CCNCC1
InChIInChI=1S/C16H23N3OS/c1-13-4-2-3-5-14(13)16-19(15(20)12-21-16)11-10-18-8-6-17-7-9-18/h2-5,16-17H,6-12H2,1H3
InChIKeyRMDUBSUDHABXAA-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 42795826) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID42795826
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CCN1CCNCC1
InChIInChI=1S/C16H23N3OS/c1-13-4-2-3-5-14(13)16-19(15(20)12-21-16)11-10-18-8-6-17-7-9-18/h2-5,16-17H,6-12H2,1H3
InChIKeyRMDUBSUDHABXAA-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 24715488
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(2-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazinan-4-one
CID 74224335
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
3-(2-morpholin-4-ylethyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049589
2-(2-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795927
ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
CID 23737861
3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 42814699
(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 93289293
N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 24711902

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (CID 42795826) is 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1SCC(=O)N1CCN1CCNCC1.
What is the InChIKey of 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is RMDUBSUDHABXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13-4-2-3-5-14(13)16-19(15(20)12-21-16)11-10-18-8-6-17-7-9-18/h2-5,16-17H,6-12H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 305.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).