3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one

C12H13NO2S — CID 62025083

IUPAC3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESCc1ccccc1C(=O)CN1CCSC1=O
InChIInChI=1S/C12H13NO2S/c1-9-4-2-3-5-10(9)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChIKeyMJGZENABCHHYHN-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.35
Rot. Bonds3

About 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one

3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one (PubChem CID 62025083) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
PubChem CID62025083
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESCc1ccccc1C(=O)CN1CCSC1=O
InChIInChI=1S/C12H13NO2S/c1-9-4-2-3-5-10(9)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3
InChIKeyMJGZENABCHHYHN-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzamide
CID 47118630
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62024351
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]benzonitrile
CID 62025641
3-(3-methyl-2-oxobutyl)-1,3-thiazolidin-2-one
CID 79395854
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one (CID 62025083) is 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is Cc1ccccc1C(=O)CN1CCSC1=O.
What is the InChIKey of 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
The InChIKey is MJGZENABCHHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9-4-2-3-5-10(9)11(14)8-13-6-7-16-12(13)15/h2-5H,6-8H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 62025083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).