(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one

C19H18N2O3S — CID 135476820

IUPAC(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one
SMILESCCOc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-24-16-10-6-14(7-11-16)20-18-17(25-19(22)21-18)12-13-4-8-15(23-2)9-5-13/h4-12H,3H2,1-2H3,(H,20,21,22)/b17-12-
InChIKeyBGJHEGUAQJXQPJ-ATVHPVEESA-N
MW354.43 g/mol
LogP4.62
Rot. Bonds5

About (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one

(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 135476820) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one
PubChem CID135476820
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one
SMILESCCOc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-24-16-10-6-14(7-11-16)20-18-17(25-19(22)21-18)12-13-4-8-15(23-2)9-5-13/h4-12H,3H2,1-2H3,(H,20,21,22)/b17-12-
InChIKeyBGJHEGUAQJXQPJ-ATVHPVEESA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one (CID 135476820) is (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one is CCOc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The InChIKey is BGJHEGUAQJXQPJ-ATVHPVEESA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-24-16-10-6-14(7-11-16)20-18-17(25-19(22)21-18)12-13-4-8-15(23-2)9-5-13/h4-12H,3H2,1-2H3,(H,20,21,22)/b17-12-.
What are the key properties of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 354.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135476820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).