2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole

C10H9FN2O2S2 — CID 117063475

IUPAC2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole
SMILESCS(=O)(=O)c1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C10H9FN2O2S2/c1-17(14,15)10-13-12-9(16-10)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyMFZSBPRYRRJIAB-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.67
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole

2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole (PubChem CID 117063475) has the molecular formula C10H9FN2O2S2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole
PubChem CID117063475
Molecular FormulaC10H9FN2O2S2
Molecular Weight272.33 g/mol
Exact Mass272.01
IUPAC Name2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole
SMILESCS(=O)(=O)c1nnc(Cc2ccccc2F)s1
InChIInChI=1S/C10H9FN2O2S2/c1-17(14,15)10-13-12-9(16-10)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyMFZSBPRYRRJIAB-UHFFFAOYSA-N
XLogP1.67
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole (CID 117063475) is 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole is CS(=O)(=O)c1nnc(Cc2ccccc2F)s1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole?
The InChIKey is MFZSBPRYRRJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S2/c1-17(14,15)10-13-12-9(16-10)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole?
2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole has a molecular weight of 272.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-methylsulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 117063475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).