3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

C20H28N2O2S — CID 42815141

IUPAC3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1C(CC(C)C)C(=O)N1CCCC1
InChIInChI=1S/C20H28N2O2S/c1-14(2)12-17(19(24)21-10-6-7-11-21)22-18(23)13-25-20(22)16-9-5-4-8-15(16)3/h4-5,8-9,14,17,20H,6-7,10-13H2,1-3H3
InChIKeyAYZSCEQSGATDFI-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.61
Rot. Bonds5

About 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 42815141) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID42815141
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1C(CC(C)C)C(=O)N1CCCC1
InChIInChI=1S/C20H28N2O2S/c1-14(2)12-17(19(24)21-10-6-7-11-21)22-18(23)13-25-20(22)16-9-5-4-8-15(16)3/h4-5,8-9,14,17,20H,6-7,10-13H2,1-3H3
InChIKeyAYZSCEQSGATDFI-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42795852
2-(2-methoxyphenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
CID 42814998
2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
CID 42815121
4-methyl-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42814613
2-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]isoindole-1,3-dione
CID 740431
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one
CID 101199621
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
CID 42816311
2-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(2-methoxyethyl)propanamide
CID 42814932
2-hydroxy-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-2-phenylethanone
CID 90631305
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 42815141) is 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1SCC(=O)N1C(CC(C)C)C(=O)N1CCCC1.
What is the InChIKey of 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is AYZSCEQSGATDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-14(2)12-17(19(24)21-10-6-7-11-21)22-18(23)13-25-20(22)16-9-5-4-8-15(16)3/h4-5,8-9,14,17,20H,6-7,10-13H2,1-3H3.
What are the key properties of 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 360.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42815141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).