(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C20H17NO3S2 — CID 154701785

IUPAC(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccccc1COc1ccccc1/C=C/C=C1/SC(=S)NC1=O
InChIInChI=1S/C20H17NO3S2/c1-23-16-10-4-3-8-15(16)13-24-17-11-5-2-7-14(17)9-6-12-18-19(22)21-20(25)26-18/h2-12H,13H2,1H3,(H,21,22,25)/b9-6+,18-12+
InChIKeyZFMNOKIPXJKJCB-PXYULHTISA-N
MW383.49 g/mol
LogP4.32
Rot. Bonds6

About (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 154701785) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID154701785
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC Name(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccccc1COc1ccccc1/C=C/C=C1/SC(=S)NC1=O
InChIInChI=1S/C20H17NO3S2/c1-23-16-10-4-3-8-15(16)13-24-17-11-5-2-7-14(17)9-6-12-18-19(22)21-20(25)26-18/h2-12H,13H2,1H3,(H,21,22,25)/b9-6+,18-12+
InChIKeyZFMNOKIPXJKJCB-PXYULHTISA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[2-[(2-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 16634000
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1206905
[2-[(E,3Z)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)prop-1-enyl]phenyl] benzoate
CID 71558614
(5Z)-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1270037
5-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4666478
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1498475
(5Z)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2199552
(5Z)-5-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6250922
5-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3591438
methyl 4-[[2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoate
CID 3315900
5-[[3-methoxy-2-[3-(2-methylphenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2907042
2-[2-methoxy-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 2183604

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 154701785) is (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccccc1COc1ccccc1/C=C/C=C1/SC(=S)NC1=O.
What is the InChIKey of (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZFMNOKIPXJKJCB-PXYULHTISA-N. The full InChI is InChI=1S/C20H17NO3S2/c1-23-16-10-4-3-8-15(16)13-24-17-11-5-2-7-14(17)9-6-12-18-19(22)21-20(25)26-18/h2-12H,13H2,1H3,(H,21,22,25)/b9-6+,18-12+.
What are the key properties of (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 383.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 154701785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).