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

C10H6F2N2OS2 — CID 43220237

IUPAC1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1ccc(F)cc1F
InChIInChI=1S/C10H6F2N2OS2/c11-6-1-2-7(8(12)3-6)9(15)4-16-10-14-13-5-17-10/h1-3,5H,4H2
InChIKeyYJJGQMMIKGTHPC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.79
Rot. Bonds4

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

1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (PubChem CID 43220237) has the molecular formula C10H6F2N2OS2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
PubChem CID43220237
Molecular FormulaC10H6F2N2OS2
Molecular Weight272.30 g/mol
Exact Mass271.99
IUPAC Name1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nncs1)c1ccc(F)cc1F
InChIInChI=1S/C10H6F2N2OS2/c11-6-1-2-7(8(12)3-6)9(15)4-16-10-14-13-5-17-10/h1-3,5H,4H2
InChIKeyYJJGQMMIKGTHPC-UHFFFAOYSA-N
XLogP2.79
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone (CID 43220237) is 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is O=C(CSc1nncs1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
The InChIKey is YJJGQMMIKGTHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2OS2/c11-6-1-2-7(8(12)3-6)9(15)4-16-10-14-13-5-17-10/h1-3,5H,4H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone?
1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone has a molecular weight of 272.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 43220237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).