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

C20H21ClN2O2S — CID 7915948

IUPAC2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone
SMILESCC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-3-17-13-26-20(22-16-6-4-5-14(2)11-16)23(17)19(24)12-25-18-9-7-15(21)8-10-18/h4-11,17H,3,12-13H2,1-2H3/b22-20-/t17-/m1/s1
InChIKeyQNBFZRXVVNMFJO-SLNYWTKHSA-N
MW388.92 g/mol
LogP5.07
Rot. Bonds5

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

2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone (PubChem CID 7915948) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone
PubChem CID7915948
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone
SMILESCC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-3-17-13-26-20(22-16-6-4-5-14(2)11-16)23(17)19(24)12-25-18-9-7-15(21)8-10-18/h4-11,17H,3,12-13H2,1-2H3/b22-20-/t17-/m1/s1
InChIKeyQNBFZRXVVNMFJO-SLNYWTKHSA-N
XLogP5.07
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone (CID 7915948) is 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone is CC[C@@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is QNBFZRXVVNMFJO-SLNYWTKHSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-3-17-13-26-20(22-16-6-4-5-14(2)11-16)23(17)19(24)12-25-18-9-7-15(21)8-10-18/h4-11,17H,3,12-13H2,1-2H3/b22-20-/t17-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone?
2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 388.92 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 7915948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).