2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole

C10H8Cl2N2OS — CID 1080103

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C10H8Cl2N2OS/c1-6-13-14-10(15-6)16-5-7-2-3-8(11)4-9(7)12/h2-4H,5H2,1H3
InChIKeyHZAITRLMMWUFOT-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.98
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole

2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 1080103) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
PubChem CID1080103
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C10H8Cl2N2OS/c1-6-13-14-10(15-6)16-5-7-2-3-8(11)4-9(7)12/h2-4H,5H2,1H3
InChIKeyHZAITRLMMWUFOT-UHFFFAOYSA-N
XLogP3.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole (CID 1080103) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(SCc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is HZAITRLMMWUFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-6-13-14-10(15-6)16-5-7-2-3-8(11)4-9(7)12/h2-4H,5H2,1H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole?
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 275.16 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 1080103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).