ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate

C15H15NO3S2 — CID 9447853

IUPACethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate
SMILESCCOC(=O)/C=c1\[nH]c(=S)s\c1=C/c1ccccc1OC
InChIInChI=1S/C15H15NO3S2/c1-3-19-14(17)9-11-13(21-15(20)16-11)8-10-6-4-5-7-12(10)18-2/h4-9H,3H2,1-2H3,(H,16,20)/b11-9-,13-8-
InChIKeyZLBSAOKBJFWLIB-ATVIVYRTSA-N
MW321.42 g/mol
LogP1.99
Rot. Bonds4

About ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate

ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate (PubChem CID 9447853) has the molecular formula C15H15NO3S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate
PubChem CID9447853
Molecular FormulaC15H15NO3S2
Molecular Weight321.42 g/mol
Exact Mass321.05
IUPAC Nameethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate
SMILESCCOC(=O)/C=c1\[nH]c(=S)s\c1=C/c1ccccc1OC
InChIInChI=1S/C15H15NO3S2/c1-3-19-14(17)9-11-13(21-15(20)16-11)8-10-6-4-5-7-12(10)18-2/h4-9H,3H2,1-2H3,(H,16,20)/b11-9-,13-8-
InChIKeyZLBSAOKBJFWLIB-ATVIVYRTSA-N
XLogP1.99
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-[(5Z)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate
CID 9447830
ethyl (2E,4E)-5-(2-methoxyphenyl)penta-2,4-dienoate
CID 87212228
ethyl 3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2250537
ethyl 3-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
CID 2852822
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256253
ethyl 2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2853807
2-(3-ethoxy-3-oxoprop-1-enyl)-6-methoxybenzoic acid
CID 169480788
ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206
ethyl (5R)-5-(2-chlorophenyl)-2-[(2-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 129445051
ethyl 5-(2,3-dimethoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylate
CID 53271325
ethyl 4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate
CID 990116
ethyl 2-[2-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577848

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate (CID 9447853) is ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate is CCOC(=O)/C=c1\[nH]c(=S)s\c1=C/c1ccccc1OC.
What is the InChIKey of ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate?
The InChIKey is ZLBSAOKBJFWLIB-ATVIVYRTSA-N. The full InChI is InChI=1S/C15H15NO3S2/c1-3-19-14(17)9-11-13(21-15(20)16-11)8-10-6-4-5-7-12(10)18-2/h4-9H,3H2,1-2H3,(H,16,20)/b11-9-,13-8-.
What are the key properties of ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate?
ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate has a molecular weight of 321.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-ylidene]acetate is sourced from PubChem (CID 9447853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).