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

C11H9FN2OS2 — CID 60710607

IUPAC1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2nnc(C)s2)c(F)c1
InChIInChI=1S/C11H9FN2OS2/c1-6(15)8-3-4-10(9(12)5-8)17-11-14-13-7(2)16-11/h3-5H,1-2H3
InChIKeyJHIBWKAOAVYIDG-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.34
Rot. Bonds3

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

1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone (PubChem CID 60710607) has the molecular formula C11H9FN2OS2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
PubChem CID60710607
Molecular FormulaC11H9FN2OS2
Molecular Weight268.34 g/mol
Exact Mass268.01
IUPAC Name1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2nnc(C)s2)c(F)c1
InChIInChI=1S/C11H9FN2OS2/c1-6(15)8-3-4-10(9(12)5-8)17-11-14-13-7(2)16-11/h3-5H,1-2H3
InChIKeyJHIBWKAOAVYIDG-UHFFFAOYSA-N
XLogP3.34
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 723650
1-(4-Isopropylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone
CID 2224324
1-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 723651
1-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfinyl]ethanone
CID 90666512
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 722458
Cambridge id 6282712
CID 817672
1-(4-Fluoro-3-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 2969513
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 90666520
(E)-1-(4-fluorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]prop-2-en-1-one
CID 129175102
(E)-1-(4-fluorophenyl)-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]prop-2-en-1-one
CID 129175114
(E)-1-(4-methylphenyl)-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]prop-2-en-1-one
CID 134185463
2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)-1-phenylpropan-1-one
CID 42888997

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone (CID 60710607) is 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone is CC(=O)c1ccc(Sc2nnc(C)s2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone?
The InChIKey is JHIBWKAOAVYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS2/c1-6(15)8-3-4-10(9(12)5-8)17-11-14-13-7(2)16-11/h3-5H,1-2H3.
What are the key properties of 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone?
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone is sourced from PubChem (CID 60710607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).