(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C19H19N3O2S2 — CID 122713594

IUPAC(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)/C(=C\c3ccco3)SC2=S)cc1
InChIInChI=1S/C19H19N3O2S2/c1-3-21(4-2)15-9-7-14(8-10-15)13-20-22-18(23)17(26-19(22)25)12-16-6-5-11-24-16/h5-13H,3-4H2,1-2H3/b17-12+,20-13+
InChIKeyHQZIGKMBZGOKPV-BHYNAFRYSA-N
MW385.51 g/mol
LogP4.36
Rot. Bonds6

About (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 122713594) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID122713594
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/C=N/N2C(=O)/C(=C\c3ccco3)SC2=S)cc1
InChIInChI=1S/C19H19N3O2S2/c1-3-21(4-2)15-9-7-14(8-10-15)13-20-22-18(23)17(26-19(22)25)12-16-6-5-11-24-16/h5-13H,3-4H2,1-2H3/b17-12+,20-13+
InChIKeyHQZIGKMBZGOKPV-BHYNAFRYSA-N
XLogP4.36
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.36
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

(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713582
4-[(E)-[3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 122713598
(5E)-3-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137120178
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713494
(5E)-5-(furan-2-ylmethylidene)-3-[(E)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713505
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713442
(5E)-5-[(4-chlorophenyl)methylidene]-3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713095
2-[(E)-[4-(diethylamino)phenyl]methylideneamino]isoindole-1,3-dione
CID 5337750
5-[(4-fluorophenyl)methylidene]-3-[(4-fluorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2934934
(5E)-3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713093
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779
(5Z)-3-[4-(diethylamino)phenyl]-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6527072

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 122713594) is (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/C=N/N2C(=O)/C(=C\c3ccco3)SC2=S)cc1.
What is the InChIKey of (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HQZIGKMBZGOKPV-BHYNAFRYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-3-21(4-2)15-9-7-14(8-10-15)13-20-22-18(23)17(26-19(22)25)12-16-6-5-11-24-16/h5-13H,3-4H2,1-2H3/b17-12+,20-13+.
What are the key properties of (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 385.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 122713594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).