7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide

C17H20N2O4S — CID 171478398

IUPAC7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide
SMILESO=C(CCCCCCN1C(=O)S/C(=C\c2ccccc2)C1=O)NO
InChIInChI=1S/C17H20N2O4S/c20-15(18-23)10-6-1-2-7-11-19-16(21)14(24-17(19)22)12-13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,18,20)/b14-12-
InChIKeyXSHCBGDAOKQKJU-OWBHPGMISA-N
MW348.42 g/mol
LogP3.18
Rot. Bonds8

About 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide

7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide (PubChem CID 171478398) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide
PubChem CID171478398
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide
SMILESO=C(CCCCCCN1C(=O)S/C(=C\c2ccccc2)C1=O)NO
InChIInChI=1S/C17H20N2O4S/c20-15(18-23)10-6-1-2-7-11-19-16(21)14(24-17(19)22)12-13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,18,20)/b14-12-
InChIKeyXSHCBGDAOKQKJU-OWBHPGMISA-N
XLogP3.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide (CID 171478398) is 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide is O=C(CCCCCCN1C(=O)S/C(=C\c2ccccc2)C1=O)NO.
What is the InChIKey of 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide?
The InChIKey is XSHCBGDAOKQKJU-OWBHPGMISA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-15(18-23)10-6-1-2-7-11-19-16(21)14(24-17(19)22)12-13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,18,20)/b14-12-.
What are the key properties of 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide?
7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide has a molecular weight of 348.42 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 171478398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).