2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one

C11H12N2O2S — CID 137296827

IUPAC2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1cccc(/N=C2/NC(=O)C(C)S2)c1
InChIInChI=1S/C11H12N2O2S/c1-7-10(14)13-11(16-7)12-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H,12,13,14)
InChIKeyMBDPBNUMQGRYCZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.93
Rot. Bonds2

About 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one

2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 137296827) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID137296827
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1cccc(/N=C2/NC(=O)C(C)S2)c1
InChIInChI=1S/C11H12N2O2S/c1-7-10(14)13-11(16-7)12-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H,12,13,14)
InChIKeyMBDPBNUMQGRYCZ-UHFFFAOYSA-N
XLogP1.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one (CID 137296827) is 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one is COc1cccc(/N=C2/NC(=O)C(C)S2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is MBDPBNUMQGRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-10(14)13-11(16-7)12-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one?
2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137296827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).