1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C11H9FN2OS2 — CID 723651

IUPAC1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyGRWXIIQNSLVJOR-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 723651) has the molecular formula C11H9FN2OS2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID723651
Molecular FormulaC11H9FN2OS2
Molecular Weight268.34 g/mol
Exact Mass268.01
IUPAC Name1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H9FN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3
InChIKeyGRWXIIQNSLVJOR-UHFFFAOYSA-N
XLogP2.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 723651) is 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is GRWXIIQNSLVJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS2/c1-7-13-14-11(17-7)16-6-10(15)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 723651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).