5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C22H17NO2S2 — CID 87330983

IUPAC5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C22H17NO2S2/c24-21-20(27-22(26)23-21)14-18-17-9-5-4-8-16(17)10-11-19(18)25-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,24,26)
InChIKeyOSPMTCNJEPQYGL-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.95
Rot. Bonds5

About 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 87330983) has the molecular formula C22H17NO2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID87330983
Molecular FormulaC22H17NO2S2
Molecular Weight391.52 g/mol
Exact Mass391.07
IUPAC Name5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1c(OCCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C22H17NO2S2/c24-21-20(27-22(26)23-21)14-18-17-9-5-4-8-16(17)10-11-19(18)25-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,24,26)
InChIKeyOSPMTCNJEPQYGL-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
(5Z)-5-[(2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1270037
(5Z)-5-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278232
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 135776721
2-[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 44821100
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]hydroxylamine
CID 20990812
3-[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
CID 27409902
(5Z)-5-[[5-bromo-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2294050
(5Z)-5-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2290961
5-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2848928
N-benzyl-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 51353661
N-benzyl-2-[2-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 1305214

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 87330983) is 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=Cc1c(OCCc2ccccc2)ccc2ccccc12.
What is the InChIKey of 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is OSPMTCNJEPQYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S2/c24-21-20(27-22(26)23-21)14-18-17-9-5-4-8-16(17)10-11-19(18)25-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,24,26).
What are the key properties of 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-phenylethoxy)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 87330983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).