5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one

C20H19NO4S — CID 157411053

IUPAC5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)c(=Cc2ccccc2OCCOc2ccccc2OC)s1
InChIInChI=1S/C20H19NO4S/c1-14-21-20(22)19(26-14)13-15-7-3-4-8-16(15)24-11-12-25-18-10-6-5-9-17(18)23-2/h3-10,13H,1,11-12H2,2H3,(H,21,22)
InChIKeySGLIAHFOWBSDKS-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.14
Rot. Bonds7

About 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one

5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one (PubChem CID 157411053) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one
PubChem CID157411053
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one
SMILESC=c1[nH]c(=O)c(=Cc2ccccc2OCCOc2ccccc2OC)s1
InChIInChI=1S/C20H19NO4S/c1-14-21-20(22)19(26-14)13-15-7-3-4-8-16(15)24-11-12-25-18-10-6-5-9-17(18)23-2/h3-10,13H,1,11-12H2,2H3,(H,21,22)
InChIKeySGLIAHFOWBSDKS-UHFFFAOYSA-N
XLogP2.14
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[[2-(2-methoxyphenoxy)phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one
CID 158532484
(5E)-3-ethyl-5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2291331
3-ethyl-5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2917010
(2Z)-2-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-7-methyl-3-oxo-N,5-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 6042686
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
3-[2-(2-methoxyphenoxy)ethyl]-1,3-benzothiazol-2-one
CID 656169
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90965007
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1-but-3-enoxy-2-methoxybenzene
CID 56629510
(5E)-2-methylidene-5-[[4-[2-[(1-methyl-4-oxo-2-phenyl-2,3-dihydroquinolin-3-yl)oxy]ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 59838511
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one (CID 157411053) is 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one is C=c1[nH]c(=O)c(=Cc2ccccc2OCCOc2ccccc2OC)s1.
What is the InChIKey of 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one?
The InChIKey is SGLIAHFOWBSDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-14-21-20(22)19(26-14)13-15-7-3-4-8-16(15)24-11-12-25-18-10-6-5-9-17(18)23-2/h3-10,13H,1,11-12H2,2H3,(H,21,22).
What are the key properties of 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one?
5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one has a molecular weight of 369.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-methylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 157411053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).