3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide

C12H10Cl2N2O2S — CID 135432628

IUPAC3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESCCC1S/C(=N/C(=O)c2ccc(Cl)c(Cl)c2)NC1=O
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-9-11(18)16-12(19-9)15-10(17)6-3-4-7(13)8(14)5-6/h3-5,9H,2H2,1H3,(H,15,16,17,18)
InChIKeyQBMPAHXTZPYQRR-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.13
Rot. Bonds2

About 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide

3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide (PubChem CID 135432628) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide
PubChem CID135432628
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESCCC1S/C(=N/C(=O)c2ccc(Cl)c(Cl)c2)NC1=O
InChIInChI=1S/C12H10Cl2N2O2S/c1-2-9-11(18)16-12(19-9)15-10(17)6-3-4-7(13)8(14)5-6/h3-5,9H,2H2,1H3,(H,15,16,17,18)
InChIKeyQBMPAHXTZPYQRR-UHFFFAOYSA-N
XLogP3.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The IUPAC name of 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide (CID 135432628) is 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The canonical SMILES for 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide is CCC1S/C(=N/C(=O)c2ccc(Cl)c(Cl)c2)NC1=O.
What is the InChIKey of 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The InChIKey is QBMPAHXTZPYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-2-9-11(18)16-12(19-9)15-10(17)6-3-4-7(13)8(14)5-6/h3-5,9H,2H2,1H3,(H,15,16,17,18).
What are the key properties of 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide has a molecular weight of 317.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)benzamide is sourced from PubChem (CID 135432628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).