1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone

C20H22N2O2S — CID 7915922

IUPAC1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESCC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-3-17-14-25-20(21-16-9-7-8-15(2)12-16)22(17)19(23)13-24-18-10-5-4-6-11-18/h4-12,17H,3,13-14H2,1-2H3/b21-20-/t17-/m1/s1
InChIKeyRXBGXGRDYIGZQP-QBEKEKFNSA-N
MW354.48 g/mol
LogP4.42
Rot. Bonds5

About 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone

1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone (PubChem CID 7915922) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
PubChem CID7915922
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
SMILESCC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-3-17-14-25-20(21-16-9-7-8-15(2)12-16)22(17)19(23)13-24-18-10-5-4-6-11-18/h4-12,17H,3,13-14H2,1-2H3/b21-20-/t17-/m1/s1
InChIKeyRXBGXGRDYIGZQP-QBEKEKFNSA-N
XLogP4.42
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7916000
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone
CID 7915971
1-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methoxyphenoxy)ethanone
CID 8780941
2-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]benzonitrile
CID 8780943
[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7915910
4-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 8780937
1-[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7916332
[(4R)-4-ethyl-2-phenylimino-1,3-thiazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 8781080
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[(4R)-2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]ethanone
CID 2529917
[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 8781007
3-[2-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24818388
1-[2-[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]cinnolin-4-one
CID 55413795

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone (CID 7915922) is 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone is CC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccccc1.
What is the InChIKey of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
The InChIKey is RXBGXGRDYIGZQP-QBEKEKFNSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-17-14-25-20(21-16-9-7-8-15(2)12-16)22(17)19(23)13-24-18-10-5-4-6-11-18/h4-12,17H,3,13-14H2,1-2H3/b21-20-/t17-/m1/s1.
What are the key properties of 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone?
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone has a molecular weight of 354.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone is sourced from PubChem (CID 7915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).