(5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C20H19NO3S2 — CID 2290987

IUPAC(5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S
InChIInChI=1S/C20H19NO3S2/c1-2-21-19(22)18(26-20(21)25)14-15-7-6-10-17(13-15)24-12-11-23-16-8-4-3-5-9-16/h3-10,13-14H,2,11-12H2,1H3/b18-14-
InChIKeyHNSVKKZJAITBMR-JXAWBTAJSA-N
MW385.51 g/mol
LogP4.37
Rot. Bonds7

About (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2290987) has the molecular formula C20H19NO3S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2290987
Molecular FormulaC20H19NO3S2
Molecular Weight385.51 g/mol
Exact Mass385.08
IUPAC Name(5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S
InChIInChI=1S/C20H19NO3S2/c1-2-21-19(22)18(26-20(21)25)14-15-7-6-10-17(13-15)24-12-11-23-16-8-4-3-5-9-16/h3-10,13-14H,2,11-12H2,1H3/b18-14-
InChIKeyHNSVKKZJAITBMR-JXAWBTAJSA-N
XLogP4.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(3-Phenoxybenzylidene)thiazolidine-2,4-dione
CID 1350369
5-[3-(Benzyloxy)-4-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 1350270
(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6005649
5-(3-Methoxybenzylidene)-3-[3-oxo-3-(1-piperidinyl)propyl]-2-thioxo-1,3-thiazolidin-4-one
CID 1231390
5-{3-[3-(2-Methoxyphenoxy)propoxy]benzylidene}-1,3-thiazolidine-2,4-dione
CID 2226770
2-(2,4-Dioxo-5-(3-phenoxybenzylidene)thiazolidin-3-yl)acetic acid
CID 11405564
2-(5-{[3-Methoxy-4-(phenylmethoxy)phenyl]methylene}-4-oxo-2-thioxo-1,3-thiazol idin-3-yl)acetic acid
CID 1201317
{(5E)-5-[3-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
CID 1201320
[5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid
CID 1201321
5-(4-(Benzyloxy)-3-methoxybenzylidene)-2-thioxothiazolidin-4-one
CID 1268892
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1349651
5-{[3-(Benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1358229

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2290987) is (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S.
What is the InChIKey of (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HNSVKKZJAITBMR-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H19NO3S2/c1-2-21-19(22)18(26-20(21)25)14-15-7-6-10-17(13-15)24-12-11-23-16-8-4-3-5-9-16/h3-10,13-14H,2,11-12H2,1H3/b18-14-.
What are the key properties of (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 385.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[[3-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2290987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).