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

C11H12N2O2S — CID 1495112

IUPAC2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2/SCC(=O)N2C)cc1
InChIInChI=1S/C11H12N2O2S/c1-13-10(14)7-16-11(13)12-8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3/b12-11+
InChIKeyAKEUQAFTQABWHF-VAWYXSNFSA-N
MW236.30 g/mol
LogP1.89
Rot. Bonds2

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

2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 1495112) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID1495112
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2/SCC(=O)N2C)cc1
InChIInChI=1S/C11H12N2O2S/c1-13-10(14)7-16-11(13)12-8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3/b12-11+
InChIKeyAKEUQAFTQABWHF-VAWYXSNFSA-N
XLogP1.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.89
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-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 1495112) is 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one is COc1ccc(/N=C2/SCC(=O)N2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is AKEUQAFTQABWHF-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-13-10(14)7-16-11(13)12-8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3/b12-11+.
What are the key properties of 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1495112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).