2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C21H16N2O2S — CID 171128786

IUPAC2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2cccc(OCc3cccc4ccccc34)c2)S1
InChIInChI=1S/C21H16N2O2S/c22-21-23-20(24)19(26-21)12-14-5-3-9-17(11-14)25-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H2,22,23,24)
InChIKeyRARXDCVMDHDSET-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.56
Rot. Bonds4

About 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 171128786) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID171128786
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2cccc(OCc3cccc4ccccc34)c2)S1
InChIInChI=1S/C21H16N2O2S/c22-21-23-20(24)19(26-21)12-14-5-3-9-17(11-14)25-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H2,22,23,24)
InChIKeyRARXDCVMDHDSET-UHFFFAOYSA-N
XLogP4.56
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777680
(5Z)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792293
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
2-(4-chlorophenyl)imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135447081
5-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128924
5-[[3-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 141166631
(5E)-2-morpholin-4-yl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazol-4-one
CID 19656193
2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 138388037
5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128118
[3-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
CID 171128489
(5Z)-2-imino-5-[[3-iodo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792496
5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 140682660

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 171128786) is 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(=Cc2cccc(OCc3cccc4ccccc34)c2)S1.
What is the InChIKey of 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RARXDCVMDHDSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c22-21-23-20(24)19(26-21)12-14-5-3-9-17(11-14)25-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2,(H2,22,23,24).
What are the key properties of 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 360.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171128786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).