(2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one

C19H16N4O4S2 — CID 135884872

IUPAC(2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C2/S[C@@H](CC(=O)c3ccccc3)C(=O)N2Cc2ccco2)CS1
InChIInChI=1S/C19H16N4O4S2/c24-14(12-5-2-1-3-6-12)9-15-17(25)23(10-13-7-4-8-27-13)18(29-15)22-21-16-11-28-19(26)20-16/h1-8,15H,9-11H2,(H,20,21,26)/b22-18+/t15-/m0/s1
InChIKeyDYIIUZNCITVYSY-CYNURGJPSA-N
MW428.50 g/mol
LogP3.12
Rot. Bonds6

About (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one

(2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one (PubChem CID 135884872) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
PubChem CID135884872
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name(2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C2/S[C@@H](CC(=O)c3ccccc3)C(=O)N2Cc2ccco2)CS1
InChIInChI=1S/C19H16N4O4S2/c24-14(12-5-2-1-3-6-12)9-15-17(25)23(10-13-7-4-8-27-13)18(29-15)22-21-16-11-28-19(26)20-16/h1-8,15H,9-11H2,(H,20,21,26)/b22-18+/t15-/m0/s1
InChIKeyDYIIUZNCITVYSY-CYNURGJPSA-N
XLogP3.12
TPSA104.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,5S)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135899430
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-[(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 137213568
4-[[3-(furan-2-ylmethyl)-4-oxo-5-phenacyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18830429
(2Z)-3-(furan-2-ylmethyl)-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135728961
4-[[3-(furan-2-ylmethyl)-5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18830413
(5S)-5-phenacyl-1,3-thiazolidine-2,4-dione
CID 7013183
2-[2-(2-ethoxyphenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 42990957
(2Z)-5-[(2,5-dichlorophenyl)methyl]-3-(furan-2-ylmethyl)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666041
N-(5-chloro-2-methoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 42993693
2-[(5R)-2-(4-chlorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 2386340
1,8-dibromo-17-(furan-2-ylmethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5122182
(2Z,5R)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 98147162

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one (CID 135884872) is (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C2/S[C@@H](CC(=O)c3ccccc3)C(=O)N2Cc2ccco2)CS1.
What is the InChIKey of (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is DYIIUZNCITVYSY-CYNURGJPSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c24-14(12-5-2-1-3-6-12)9-15-17(25)23(10-13-7-4-8-27-13)18(29-15)22-21-16-11-28-19(26)20-16/h1-8,15H,9-11H2,(H,20,21,26)/b22-18+/t15-/m0/s1.
What are the key properties of (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
(2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 428.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-3-(furan-2-ylmethyl)-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135884872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).