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

C14H10Cl2N2S — CID 2861639

IUPAC2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESClc1ccc(C2NN=C(c3ccccc3)S2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2S/c15-10-6-7-11(12(16)8-10)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8,14,18H
InChIKeyAIOYDHDVQCVGHF-UHFFFAOYSA-N
MW309.22 g/mol
LogP4.69
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 2861639) has the molecular formula C14H10Cl2N2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
PubChem CID2861639
Molecular FormulaC14H10Cl2N2S
Molecular Weight309.22 g/mol
Exact Mass307.99
IUPAC Name2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
SMILESClc1ccc(C2NN=C(c3ccccc3)S2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2S/c15-10-6-7-11(12(16)8-10)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8,14,18H
InChIKeyAIOYDHDVQCVGHF-UHFFFAOYSA-N
XLogP4.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 54.69
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-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole (CID 2861639) is 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole is Clc1ccc(C2NN=C(c3ccccc3)S2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is AIOYDHDVQCVGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S/c15-10-6-7-11(12(16)8-10)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8,14,18H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole?
2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 309.22 g/mol, XLogP of 4.69, 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-phenyl-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 2861639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).