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

C15H11NO2S2 — CID 1206922

IUPAC(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc2ccccc2c1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C15H11NO2S2/c1-18-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14(17)16-15(19)20-13/h2-8H,1H3,(H,16,17,19)/b13-8-
InChIKeyYGHRMTBYJMUQLI-JYRVWZFOSA-N
MW301.39 g/mol
LogP3.34
Rot. Bonds2

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

(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1206922) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1206922
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc2ccccc2c1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C15H11NO2S2/c1-18-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14(17)16-15(19)20-13/h2-8H,1H3,(H,16,17,19)/b13-8-
InChIKeyYGHRMTBYJMUQLI-JYRVWZFOSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.34
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

5-[(3-Methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3095430
(5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1551238
(5E)-5-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6532825
5-(2-Methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 3004477
(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 47298428
(5Z)-5-((2-Methoxyphenyl)methylene)-2-thioxo-4-thiazolidinone
CID 1206905
(5Z)-5-[(2-propoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1810698
5-(3-(4-Tert-butylphenoxy)benzylidene)-2-thioxothiazolidin-4-one
CID 22885492
(5Z)-5-[(5-methoxy-2-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 24756940
5-(4-Benzyloxy-biphenyl-3-ylmethylene)-2-thioxo-thiazolidin-4-one
CID 44395081
5-((3-(Benzyloxy)naphthalen-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 44411721
5-((3-(3,5-Dimethoxybenzyloxy)naphthalen-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 44411824

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1206922) is (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc2ccccc2c1/C=C1\SC(=S)NC1=O.
What is the InChIKey of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YGHRMTBYJMUQLI-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H11NO2S2/c1-18-12-7-6-9-4-2-3-5-10(9)11(12)8-13-14(17)16-15(19)20-13/h2-8H,1H3,(H,16,17,19)/b13-8-.
What are the key properties of (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1206922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).