(5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C15H13NO2S2 — CID 142897277

IUPAC(5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=C(/C=C1\SC(=S)N(C)C1=O)OC(=C)c1ccccc1
InChIInChI=1S/C15H13NO2S2/c1-10(9-13-14(17)16(3)15(19)20-13)18-11(2)12-7-5-4-6-8-12/h4-9H,1-2H2,3H3/b13-9-
InChIKeyLLTMBBCTZCHBAF-LCYFTJDESA-N
MW303.41 g/mol
LogP3.56
Rot. Bonds4

About (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 142897277) has the molecular formula C15H13NO2S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID142897277
Molecular FormulaC15H13NO2S2
Molecular Weight303.41 g/mol
Exact Mass303.04
IUPAC Name(5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=C(/C=C1\SC(=S)N(C)C1=O)OC(=C)c1ccccc1
InChIInChI=1S/C15H13NO2S2/c1-10(9-13-14(17)16(3)15(19)20-13)18-11(2)12-7-5-4-6-8-12/h4-9H,1-2H2,3H3/b13-9-
InChIKeyLLTMBBCTZCHBAF-LCYFTJDESA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 142897277) is (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C=C(/C=C1\SC(=S)N(C)C1=O)OC(=C)c1ccccc1.
What is the InChIKey of (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is LLTMBBCTZCHBAF-LCYFTJDESA-N. The full InChI is InChI=1S/C15H13NO2S2/c1-10(9-13-14(17)16(3)15(19)20-13)18-11(2)12-7-5-4-6-8-12/h4-9H,1-2H2,3H3/b13-9-.
What are the key properties of (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[2-(1-phenylethenoxy)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 142897277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).