1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

C10H7FN2OS2 — CID 43226523

IUPAC1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1cccc(F)c1
InChIInChI=1S/C10H7FN2OS2/c11-8-3-1-2-7(4-8)9(14)5-15-10-13-12-6-16-10/h1-4,6H,5H2
InChIKeyYLVFPBSBTOUREU-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 43226523) has the molecular formula C10H7FN2OS2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID43226523
Molecular FormulaC10H7FN2OS2
Molecular Weight254.31 g/mol
Exact Mass254.00
IUPAC Name1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1cccc(F)c1
InChIInChI=1S/C10H7FN2OS2/c11-8-3-1-2-7(4-8)9(14)5-15-10-13-12-6-16-10/h1-4,6H,5H2
InChIKeyYLVFPBSBTOUREU-UHFFFAOYSA-N
XLogP2.65
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413969
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
1-(4-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413959
1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52890591
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
CID 17411757
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
1-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413965
1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one
CID 8936118
1-(3-fluorophenyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 8676008
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 17444032
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 43226523) is 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is YLVFPBSBTOUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS2/c11-8-3-1-2-7(4-8)9(14)5-15-10-13-12-6-16-10/h1-4,6H,5H2.
What are the key properties of 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 254.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 43226523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).