3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one

C17H16N2O3S — CID 1377781

IUPAC3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\SCC(=O)N1c1ccccc1OC
InChIInChI=1S/C17H16N2O3S/c1-21-14-9-5-3-7-12(14)18-17-19(16(20)11-23-17)13-8-4-6-10-15(13)22-2/h3-10H,11H2,1-2H3/b18-17-
InChIKeyKKOMQAZHAUIUQO-ZCXUNETKSA-N
MW328.39 g/mol
LogP3.47
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one

3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 1377781) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID1377781
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/N=C1\SCC(=O)N1c1ccccc1OC
InChIInChI=1S/C17H16N2O3S/c1-21-14-9-5-3-7-12(14)18-17-19(16(20)11-23-17)13-8-4-6-10-15(13)22-2/h3-10H,11H2,1-2H3/b18-17-
InChIKeyKKOMQAZHAUIUQO-ZCXUNETKSA-N
XLogP3.47
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 1377781) is 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccccc1/N=C1\SCC(=O)N1c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KKOMQAZHAUIUQO-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-14-9-5-3-7-12(14)18-17-19(16(20)11-23-17)13-8-4-6-10-15(13)22-2/h3-10H,11H2,1-2H3/b18-17-.
What are the key properties of 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one?
3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 328.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1377781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).