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

C18H16N2O3S — CID 135512315

IUPAC(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one
SMILESCCOc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H16N2O3S/c1-2-23-15-9-5-13(6-10-15)19-17-16(24-18(22)20-17)11-12-3-7-14(21)8-4-12/h3-11,21H,2H2,1H3,(H,19,20,22)/b16-11-
InChIKeyMKAIUMDZTYINGG-WJDWOHSUSA-N
MW340.40 g/mol
LogP4.32
Rot. Bonds4

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

(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 135512315) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one
PubChem CID135512315
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one
SMILESCCOc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C18H16N2O3S/c1-2-23-15-9-5-13(6-10-15)19-17-16(24-18(22)20-17)11-12-3-7-14(21)8-4-12/h3-11,21H,2H2,1H3,(H,19,20,22)/b16-11-
InChIKeyMKAIUMDZTYINGG-WJDWOHSUSA-N
XLogP4.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
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-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one (CID 135512315) is (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one is CCOc1ccc(/N=C2\NC(=O)S\C2=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The InChIKey is MKAIUMDZTYINGG-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-2-23-15-9-5-13(6-10-15)19-17-16(24-18(22)20-17)11-12-3-7-14(21)8-4-12/h3-11,21H,2H2,1H3,(H,19,20,22)/b16-11-.
What are the key properties of (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 340.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135512315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).