2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

C16H20N2O3S — CID 42814433

IUPAC2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H20N2O3S/c1-21-13-6-4-12(5-7-13)16-18(15(20)11-22-16)10-14(19)17-8-2-3-9-17/h4-7,16H,2-3,8-11H2,1H3
InChIKeyDRQWYDQKXNHXHA-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 42814433) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID42814433
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H20N2O3S/c1-21-13-6-4-12(5-7-13)16-18(15(20)11-22-16)10-14(19)17-8-2-3-9-17/h4-7,16H,2-3,8-11H2,1H3
InChIKeyDRQWYDQKXNHXHA-UHFFFAOYSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3402208
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
2-(4-methoxyphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 42815102
3-[2-(2-hydroxyethylsulfanyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3832795
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
(2S)-3-(1-adamantylmethyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 7072882
3-tert-butyl-1-[2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
CID 42814570
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399
2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 42814433) is 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CC(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is DRQWYDQKXNHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-21-13-6-4-12(5-7-13)16-18(15(20)11-22-16)10-14(19)17-8-2-3-9-17/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 320.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).