(5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H16N2O3S2 — CID 163320580

IUPAC(5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=N/N1C(=O)/C(=C\c2ccccc2OC)SC1=S
InChIInChI=1S/C19H16N2O3S2/c1-23-15-9-5-3-7-13(15)11-17-18(22)21(19(25)26-17)20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3/b17-11+,20-12+
InChIKeyPUNCSHCNHVDCJV-WYRLOYKNSA-N
MW384.48 g/mol
LogP3.94
Rot. Bonds5

About (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 163320580) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID163320580
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name(5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=N/N1C(=O)/C(=C\c2ccccc2OC)SC1=S
InChIInChI=1S/C19H16N2O3S2/c1-23-15-9-5-3-7-13(15)11-17-18(22)21(19(25)26-17)20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3/b17-11+,20-12+
InChIKeyPUNCSHCNHVDCJV-WYRLOYKNSA-N
XLogP3.94
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[(3-Phenylmethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 276644
3-[(4-Methoxybenzylidene)amino]-2-thioxo-1,3-thiazolidin-4-one
CID 5341305
3-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6902631
3-[(4-Phenylmethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 276645
[2-({3-[(2-Hydroxybenzylidene)amino]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
CID 135401384
Acetic acid, (4-((4-oxo-2-thioxo-5-thiazolidinylidene)methyl)phenoxy)-, ((4-methoxyphenyl)methylene)hydrazide
CID 9588726
4-Thiazolidinone, 3-(((2-hydroxyphenyl)methylene)amino)-5-(phenylmethylene)-2-thioxo-
CID 135418575
3-[(2-Methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 275255
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(E)-(4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172451219
(Z)-5-(4-methoxybenzylidene)-3-((E)-(4-methoxybenzylidene)amino)-2-thioxothiazolidin-4-one
CID 6862954
(e)-3-((2-Fluoro-4-methoxybenzylidene) amino)-2-thioxothiazolidin-4-one
CID 163320518
(e)-3-((4-Fluoro-3-methoxybenzylidene) amino)-2-thioxothiazolidin-4-one
CID 163320519

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 163320580) is (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccccc1/C=N/N1C(=O)/C(=C\c2ccccc2OC)SC1=S.
What is the InChIKey of (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PUNCSHCNHVDCJV-WYRLOYKNSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-23-15-9-5-3-7-13(15)11-17-18(22)21(19(25)26-17)20-12-14-8-4-6-10-16(14)24-2/h3-12H,1-2H3/b17-11+,20-12+.
What are the key properties of (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 384.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-methoxyphenyl)methylidene]-3-[(E)-(2-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 163320580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).