4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole

C11H12N2O2S2 — CID 1485979

IUPAC4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole
SMILESCc1ccccc1CS(=O)(=O)c1snnc1C
InChIInChI=1S/C11H12N2O2S2/c1-8-5-3-4-6-10(8)7-17(14,15)11-9(2)12-13-16-11/h3-6H,7H2,1-2H3
InChIKeyZRAFMIBOPHCIAF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.13
Rot. Bonds3

About 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole

4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole (PubChem CID 1485979) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole.

Molecular Properties

Compound Name4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole
PubChem CID1485979
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole
SMILESCc1ccccc1CS(=O)(=O)c1snnc1C
InChIInChI=1S/C11H12N2O2S2/c1-8-5-3-4-6-10(8)7-17(14,15)11-9(2)12-13-16-11/h3-6H,7H2,1-2H3
InChIKeyZRAFMIBOPHCIAF-UHFFFAOYSA-N
XLogP2.13
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole?
The IUPAC name of 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole (CID 1485979) is 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole.
What is the SMILES notation for 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole?
The canonical SMILES for 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole is Cc1ccccc1CS(=O)(=O)c1snnc1C.
What is the InChIKey of 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole?
The InChIKey is ZRAFMIBOPHCIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8-5-3-4-6-10(8)7-17(14,15)11-9(2)12-13-16-11/h3-6H,7H2,1-2H3.
What are the key properties of 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole?
4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole has a molecular weight of 268.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole is sourced from PubChem (CID 1485979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).