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

C16H10Cl2N2O2S — CID 1382324

IUPAC4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2O2S/c17-11-3-1-10(2-4-11)15(22)19-16-20(14(21)9-23-16)13-7-5-12(18)6-8-13/h1-8H,9H2/b19-16-
InChIKeyUAEFJQYIQMJHKM-MNDPQUGUSA-N
MW365.24 g/mol
LogP4.27
Rot. Bonds2

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

4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 1382324) has the molecular formula C16H10Cl2N2O2S and a molecular weight of 365.24 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID1382324
Molecular FormulaC16H10Cl2N2O2S
Molecular Weight365.24 g/mol
Exact Mass363.98
IUPAC Name4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H10Cl2N2O2S/c17-11-3-1-10(2-4-11)15(22)19-16-20(14(21)9-23-16)13-7-5-12(18)6-8-13/h1-8H,9H2/b19-16-
InChIKeyUAEFJQYIQMJHKM-MNDPQUGUSA-N
XLogP4.27
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (CID 1382324) is 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is O=C(/N=C1\SCC(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is UAEFJQYIQMJHKM-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2S/c17-11-3-1-10(2-4-11)15(22)19-16-20(14(21)9-23-16)13-7-5-12(18)6-8-13/h1-8H,9H2/b19-16-.
What are the key properties of 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 365.24 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 1382324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).