2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole

C15H12Cl2N2S — CID 2871317

IUPAC2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3ccc(Cl)cc3Cl)S2)cc1
InChIInChI=1S/C15H12Cl2N2S/c1-9-2-4-10(5-3-9)14-18-19-15(20-14)12-7-6-11(16)8-13(12)17/h2-8,15,19H,1H3
InChIKeyUJNQJUPURYCTOI-UHFFFAOYSA-N
MW323.25 g/mol
LogP5.00
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole

2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2871317) has the molecular formula C15H12Cl2N2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2871317
Molecular FormulaC15H12Cl2N2S
Molecular Weight323.25 g/mol
Exact Mass322.01
IUPAC Name2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCc1ccc(C2=NNC(c3ccc(Cl)cc3Cl)S2)cc1
InChIInChI=1S/C15H12Cl2N2S/c1-9-2-4-10(5-3-9)14-18-19-15(20-14)12-7-6-11(16)8-13(12)17/h2-8,15,19H,1H3
InChIKeyUJNQJUPURYCTOI-UHFFFAOYSA-N
XLogP5.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (CID 2871317) is 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is Cc1ccc(C2=NNC(c3ccc(Cl)cc3Cl)S2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is UJNQJUPURYCTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S/c1-9-2-4-10(5-3-9)14-18-19-15(20-14)12-7-6-11(16)8-13(12)17/h2-8,15,19H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 323.25 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2871317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).