2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole

C9H6F2N2O2S2 — CID 15405413

IUPAC2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole
SMILESCS(=O)(=O)c1nnc(-c2c(F)cccc2F)s1
InChIInChI=1S/C9H6F2N2O2S2/c1-17(14,15)9-13-12-8(16-9)7-5(10)3-2-4-6(7)11/h2-4H,1H3
InChIKeyGZCSVDYWPQBJCC-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole

2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole (PubChem CID 15405413) has the molecular formula C9H6F2N2O2S2 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole
PubChem CID15405413
Molecular FormulaC9H6F2N2O2S2
Molecular Weight276.29 g/mol
Exact Mass275.98
IUPAC Name2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole
SMILESCS(=O)(=O)c1nnc(-c2c(F)cccc2F)s1
InChIInChI=1S/C9H6F2N2O2S2/c1-17(14,15)9-13-12-8(16-9)7-5(10)3-2-4-6(7)11/h2-4H,1H3
InChIKeyGZCSVDYWPQBJCC-UHFFFAOYSA-N
XLogP1.89
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole (CID 15405413) is 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole is CS(=O)(=O)c1nnc(-c2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole?
The InChIKey is GZCSVDYWPQBJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2S2/c1-17(14,15)9-13-12-8(16-9)7-5(10)3-2-4-6(7)11/h2-4H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole?
2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole has a molecular weight of 276.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-methylsulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 15405413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).