N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide

C10H9N3O2S — CID 135418773

IUPACN-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
SMILESO=C1CSC(=NNC(=O)c2ccccc2)N1
InChIInChI=1S/C10H9N3O2S/c14-8-6-16-10(11-8)13-12-9(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)(H,11,13,14)
InChIKeyVDINZYAYFSSBNF-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.55
Rot. Bonds2

About N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide

N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide (PubChem CID 135418773) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
PubChem CID135418773
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
SMILESO=C1CSC(=NNC(=O)c2ccccc2)N1
InChIInChI=1S/C10H9N3O2S/c14-8-6-16-10(11-8)13-12-9(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)(H,11,13,14)
InChIKeyVDINZYAYFSSBNF-UHFFFAOYSA-N
XLogP0.55
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
Benzoic acid [4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
CID 135759036
2-methyl-N-(4-oxo-2-sulfanylidene-3-thiazolidinyl)benzamide
CID 1202470
N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
CID 135444990
(2Z)-{(2E)-3-methyl-4-oxo-2-[2-(phenylcarbonyl)hydrazinylidene]-1,3-thiazolidin-5-ylidene}ethanoic acid
CID 6882298
4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425000
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2706587
N'-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 8438335
N'-[2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzohydrazide
CID 135718348
N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
CID 482274
methyl (2E)-{4-oxo-2-[2-(phenylcarbonyl)hydrazinyl]-1,3-thiazol-5(4H)-ylidene}ethanoate
CID 135432758
Saijunmao
CID 43990

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The IUPAC name of N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide (CID 135418773) is N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide.
What is the SMILES notation for N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The canonical SMILES for N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide is O=C1CSC(=NNC(=O)c2ccccc2)N1.
What is the InChIKey of N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
The InChIKey is VDINZYAYFSSBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-6-16-10(11-8)13-12-9(15)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,15)(H,11,13,14).
What are the key properties of N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide?
N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide has a molecular weight of 235.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide is sourced from PubChem (CID 135418773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).