4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

C16H12Cl2N2O2S — CID 70681831

IUPAC4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C16H12Cl2N2O2S/c1-10-2-5-12(6-3-10)20-15(21)19(16(22)23-20)9-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3
InChIKeyQZBXDJFRINFQCJ-UHFFFAOYSA-N
MW367.26 g/mol
LogP3.72
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70681831) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70681831
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
InChIInChI=1S/C16H12Cl2N2O2S/c1-10-2-5-12(6-3-10)20-15(21)19(16(22)23-20)9-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3
InChIKeyQZBXDJFRINFQCJ-UHFFFAOYSA-N
XLogP3.72
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (CID 70681831) is 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(-n2sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is QZBXDJFRINFQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c1-10-2-5-12(6-3-10)20-15(21)19(16(22)23-20)9-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 367.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70681831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).