1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C14H8F2N2O2S2 — CID 3988534

IUPAC1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N2O2S2/c15-9-4-3-8(6-10(9)16)11(19)7-22-14-18-17-13(20-14)12-2-1-5-21-12/h1-6H,7H2
InChIKeyZLCPXDQYUGGYRF-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.05
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 3988534) has the molecular formula C14H8F2N2O2S2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID3988534
Molecular FormulaC14H8F2N2O2S2
Molecular Weight338.36 g/mol
Exact Mass338.00
IUPAC Name1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H8F2N2O2S2/c15-9-4-3-8(6-10(9)16)11(19)7-22-14-18-17-13(20-14)12-2-1-5-21-12/h1-6H,7H2
InChIKeyZLCPXDQYUGGYRF-UHFFFAOYSA-N
XLogP4.05
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 3988534) is 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2cccs2)o1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is ZLCPXDQYUGGYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2S2/c15-9-4-3-8(6-10(9)16)11(19)7-22-14-18-17-13(20-14)12-2-1-5-21-12/h1-6H,7H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 338.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 3988534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).