3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide

C10H6Cl2N2O2S — CID 135441606

IUPAC3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESO=C1CS/C(=N/C(=O)c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)9(16)14-10-13-8(15)4-17-10/h1-3H,4H2,(H,13,14,15,16)
InChIKeyQMIPDJXMVIUZMR-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.35
Rot. Bonds1

About 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide

3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide (PubChem CID 135441606) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
PubChem CID135441606
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESO=C1CS/C(=N/C(=O)c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)9(16)14-10-13-8(15)4-17-10/h1-3H,4H2,(H,13,14,15,16)
InChIKeyQMIPDJXMVIUZMR-UHFFFAOYSA-N
XLogP2.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
3,4-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 924592
3,4-dichloro-N-(5-ethyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 135432628
2-(3,4-Dichlorobenzoylamino)-4,4-bis(trifluoromethyl)-5-(tetrafluoroethylidene)-2-thiazoline
CID 53665289
3,4-dichloro-N-[(5E)-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 140366479
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 798970
4-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 26026501
5-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 26688916
4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131221
3,5-dichloro-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 1247696
4-chloro-N-(3-methyl-1,3-thiazolidin-2-ylidene)benzamide
CID 10587097
1-(3,4-dichlorobenzoyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 45877863

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide (CID 135441606) is 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide is O=C1CS/C(=N/C(=O)c2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The InChIKey is QMIPDJXMVIUZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-6-2-1-5(3-7(6)12)9(16)14-10-13-8(15)4-17-10/h1-3H,4H2,(H,13,14,15,16).
What are the key properties of 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide has a molecular weight of 289.14 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide is sourced from PubChem (CID 135441606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).