methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate

C13H12N2O4S — CID 135468687

IUPACmethyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)/C=C1\S/C(=N/c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C13H12N2O4S/c1-18-9-5-3-8(4-6-9)14-13-15-12(17)10(20-13)7-11(16)19-2/h3-7H,1-2H3,(H,14,15,17)/b10-7-
InChIKeyADCGDNGUQVCVFN-YFHOEESVSA-N
MW292.32 g/mol
LogP1.60
Rot. Bonds3

About methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate

methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 135468687) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
PubChem CID135468687
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Namemethyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)/C=C1\S/C(=N/c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C13H12N2O4S/c1-18-9-5-3-8(4-6-9)14-13-15-12(17)10(20-13)7-11(16)19-2/h3-7H,1-2H3,(H,14,15,17)/b10-7-
InChIKeyADCGDNGUQVCVFN-YFHOEESVSA-N
XLogP1.60
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate (CID 135468687) is methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate is COC(=O)/C=C1\S/C(=N/c2ccc(OC)cc2)NC1=O.
What is the InChIKey of methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is ADCGDNGUQVCVFN-YFHOEESVSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-18-9-5-3-8(4-6-9)14-13-15-12(17)10(20-13)7-11(16)19-2/h3-7H,1-2H3,(H,14,15,17)/b10-7-.
What are the key properties of methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate?
methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 292.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 135468687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).