(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one

C11H12N2O3S — CID 139058923

IUPAC(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)[C@@H](c2cc(OC)ccc2OC)S1
InChIInChI=1S/C11H12N2O3S/c1-15-6-3-4-8(16-2)7(5-6)9-10(14)13-11(12)17-9/h3-5,9H,1-2H3,(H2,12,13,14)/t9-/m1/s1
InChIKeyFBLZOUKCNYOBPV-SECBINFHSA-N
MW252.29 g/mol
LogP1.54
Rot. Bonds3

About (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one

(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 139058923) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID139058923
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)[C@@H](c2cc(OC)ccc2OC)S1
InChIInChI=1S/C11H12N2O3S/c1-15-6-3-4-8(16-2)7(5-6)9-10(14)13-11(12)17-9/h3-5,9H,1-2H3,(H2,12,13,14)/t9-/m1/s1
InChIKeyFBLZOUKCNYOBPV-SECBINFHSA-N
XLogP1.54
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
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 (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one (CID 139058923) is (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)[C@@H](c2cc(OC)ccc2OC)S1.
What is the InChIKey of (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is FBLZOUKCNYOBPV-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-6-3-4-8(16-2)7(5-6)9-10(14)13-11(12)17-9/h3-5,9H,1-2H3,(H2,12,13,14)/t9-/m1/s1.
What are the key properties of (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one?
(5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 252.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,5-dimethoxyphenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139058923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).