N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide

C17H11ClN2O2S2 — CID 1377510

IUPACN-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide
SMILESO=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Cl
InChIInChI=1S/C17H11ClN2O2S2/c18-13-9-5-4-8-12(13)15(21)19-20-16(22)14(24-17(20)23)10-11-6-2-1-3-7-11/h1-10H,(H,19,21)/b14-10-
InChIKeyWTFITOCUXDTJGD-UVTDQMKNSA-N
MW374.87 g/mol
LogP3.89
Rot. Bonds3

About N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide

N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide (PubChem CID 1377510) has the molecular formula C17H11ClN2O2S2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide
PubChem CID1377510
Molecular FormulaC17H11ClN2O2S2
Molecular Weight374.87 g/mol
Exact Mass374.00
IUPAC NameN-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide
SMILESO=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Cl
InChIInChI=1S/C17H11ClN2O2S2/c18-13-9-5-4-8-12(13)15(21)19-20-16(22)14(24-17(20)23)10-11-6-2-1-3-7-11/h1-10H,(H,19,21)/b14-10-
InChIKeyWTFITOCUXDTJGD-UVTDQMKNSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-n'-(2-chlorobenzoyl)benzohydrazide
CID 258818
2-chloro-N'-(3-phenylpropanoyl)benzohydrazide
CID 730476
N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}-4-methylbenzohydrazide
CID 1968392
4-methyl-N-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
CID 2015090
1-Benzoyl-2-(2-chlorobenzoyl)hydrazine
CID 256402
2-chloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
CID 1861546
4-Chloro-benzoic acid N'-(4-{5-[1-(2-chloro-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-butyryl)-hydrazide
CID 1969153
2,4-dichloro-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
CID 2036464
N'-{2-[(2-chlorobenzyl)thio]acetyl}benzohydrazide
CID 2221364
2-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-benzamide
CID 6514671
N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
CID 6511112
N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
CID 482274

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide?
The IUPAC name of N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide (CID 1377510) is N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide?
The canonical SMILES for N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide is O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1Cl.
What is the InChIKey of N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide?
The InChIKey is WTFITOCUXDTJGD-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H11ClN2O2S2/c18-13-9-5-4-8-12(13)15(21)19-20-16(22)14(24-17(20)23)10-11-6-2-1-3-7-11/h1-10H,(H,19,21)/b14-10-.
What are the key properties of N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide?
N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide has a molecular weight of 374.87 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 1377510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).