(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H18N2O3S — CID 137283359

IUPAC(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-15-9-8-14(10-16(15)24-2)11-17-18(22)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)/b17-11-
InChIKeyLKIIVLAGGVYKTI-BOPFTXTBSA-N
MW354.43 g/mol
LogP3.46
Rot. Bonds5

About (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137283359) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137283359
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-23-15-9-8-14(10-16(15)24-2)11-17-18(22)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)/b17-11-
InChIKeyLKIIVLAGGVYKTI-BOPFTXTBSA-N
XLogP3.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137283359) is (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N/Cc3ccccc3)NC2=O)cc1OC.
What is the InChIKey of (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LKIIVLAGGVYKTI-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-9-8-14(10-16(15)24-2)11-17-18(22)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)/b17-11-.
What are the key properties of (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzylimino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137283359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).