2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

C16H16N2O5S2 — CID 6236826

IUPAC2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H16N2O5S2/c19-14(17-12-6-7-25(22,23)10-12)9-18-15(20)13(24-16(18)21)8-11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H,17,19)/b13-8-
InChIKeyMJMKUKWJIWTNCX-JYRVWZFOSA-N
MW380.45 g/mol
LogP1.03
Rot. Bonds4

About 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 6236826) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID6236826
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H16N2O5S2/c19-14(17-12-6-7-25(22,23)10-12)9-18-15(20)13(24-16(18)21)8-11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H,17,19)/b13-8-
InChIKeyMJMKUKWJIWTNCX-JYRVWZFOSA-N
XLogP1.03
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide 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

(2E)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 5344310
(5Z)-5-benzylidene-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
CID 5372044
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 2430168
N-(1,1-dioxidotetrahydro-3-thienyl)-3-phenylacrylamide
CID 5730440
3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide
CID 6226046
2-[(5Z)-5-(4-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
CID 6226047
2-[(5Z)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylacetamide
CID 6226332
N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
CID 6226614
N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-[(5Z)-5-(2-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 6226757
3-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 6227100
2-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)acetamide
CID 6236523
2-[(5Z)-5-(3-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)acetamide
CID 6236655

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 6236826) is 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is MJMKUKWJIWTNCX-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c19-14(17-12-6-7-25(22,23)10-12)9-18-15(20)13(24-16(18)21)8-11-4-2-1-3-5-11/h1-5,8,12H,6-7,9-10H2,(H,17,19)/b13-8-.
What are the key properties of 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 6236826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).