2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone

C10H7F2N3OS2 — CID 2093818

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone
SMILESNc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C10H7F2N3OS2/c11-6-2-1-5(3-7(6)12)8(16)4-17-10-15-14-9(13)18-10/h1-3H,4H2,(H2,13,14)
InChIKeyFSISKSSTLOUWPB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.37
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone (PubChem CID 2093818) has the molecular formula C10H7F2N3OS2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone
PubChem CID2093818
Molecular FormulaC10H7F2N3OS2
Molecular Weight287.32 g/mol
Exact Mass287.00
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone
SMILESNc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C10H7F2N3OS2/c11-6-2-1-5(3-7(6)12)8(16)4-17-10-15-14-9(13)18-10/h1-3H,4H2,(H2,13,14)
InChIKeyFSISKSSTLOUWPB-UHFFFAOYSA-N
XLogP2.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone (CID 2093818) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone is Nc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone?
The InChIKey is FSISKSSTLOUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3OS2/c11-6-2-1-5(3-7(6)12)8(16)4-17-10-15-14-9(13)18-10/h1-3H,4H2,(H2,13,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone has a molecular weight of 287.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 2093818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).