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

C19H15FN2O4S — CID 135468651

IUPACmethyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1
InChIInChI=1S/C19H15FN2O4S/c1-25-17(23)11-26-15-8-2-12(3-9-15)10-16-18(24)22-19(27-16)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,22,24)/b16-10-
InChIKeyHIOCJJAPBFRSHV-YBEGLDIGSA-N
MW386.40 g/mol
LogP3.27
Rot. Bonds5

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

methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate (PubChem CID 135468651) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
PubChem CID135468651
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Namemethyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1
InChIInChI=1S/C19H15FN2O4S/c1-25-17(23)11-26-15-8-2-12(3-9-15)10-16-18(24)22-19(27-16)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,22,24)/b16-10-
InChIKeyHIOCJJAPBFRSHV-YBEGLDIGSA-N
XLogP3.27
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.27
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'}

Analyze methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate with MolForge

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Related Compounds

5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
5-[(2,4-Dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135440751
(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
5-{4-[(2-Fluorobenzyl)oxy]-3-methoxybenzylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135404028
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(4-{[4-Oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
CID 2254703
5-(4-Methoxybenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135400261
2-[(4-Methoxyphenyl)imino]-5-(3-phenyl-2-propen-1-ylidene)-1,3-thiazolidin-4-one
CID 135460598
(2E,5E)-5-(2,4-dimethoxybenzylidene)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
CID 135506646
(2Z,5Z)-5-(2,4-dimethoxybenzylidene)-2-((4-fluorophenyl)imino)thiazolidin-4-one
CID 135509290
{4-[2-(4-Ethyl-phenylimino)-4-oxo-thiazolidin-5-ylidenemethyl]-2-methoxy-phenoxy}-acetic acid
CID 135547302
{2-Ethoxy-4-[2-(4-ethyl-phenylimino)-4-oxo-thiazolidin-5-ylidenemethyl]-phenoxy}-acetic acid
CID 135547306

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate (CID 135468651) is methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate is COC(=O)COc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1.
What is the InChIKey of methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate?
The InChIKey is HIOCJJAPBFRSHV-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-25-17(23)11-26-15-8-2-12(3-9-15)10-16-18(24)22-19(27-16)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,22,24)/b16-10-.
What are the key properties of methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate?
methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate has a molecular weight of 386.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 135468651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).