methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

C15H19NO3S — CID 139686166

IUPACmethyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCCOc1ccc(C=C2CN(CC(=O)OC)CS2)cc1
InChIInChI=1S/C15H19NO3S/c1-3-19-13-6-4-12(5-7-13)8-14-9-16(11-20-14)10-15(17)18-2/h4-8H,3,9-11H2,1-2H3
InChIKeyZOKDVQOZZNCKJL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate (PubChem CID 139686166) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
PubChem CID139686166
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCCOc1ccc(C=C2CN(CC(=O)OC)CS2)cc1
InChIInChI=1S/C15H19NO3S/c1-3-19-13-6-4-12(5-7-13)8-14-9-16(11-20-14)10-15(17)18-2/h4-8H,3,9-11H2,1-2H3
InChIKeyZOKDVQOZZNCKJL-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-[(4-cyanophenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 139686157
methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 139686174
2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 139686110
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
(3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
CID 2382709
(E)-N-(azepane-1-carbothioyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227391
(4-ethoxyphenyl) 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79410220
(E)-3-(4-ethoxyphenyl)-1-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 17228057
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
methyl 2-[5-[(4-butoxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 139686132
N-[(4-ethoxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 792193

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate (CID 139686166) is methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate is CCOc1ccc(C=C2CN(CC(=O)OC)CS2)cc1.
What is the InChIKey of methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The InChIKey is ZOKDVQOZZNCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-3-19-13-6-4-12(5-7-13)8-14-9-16(11-20-14)10-15(17)18-2/h4-8H,3,9-11H2,1-2H3.
What are the key properties of methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate has a molecular weight of 293.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 139686166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).