2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone

C8H6N2O2S — CID 105125924

IUPAC2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1cnsn1
InChIInChI=1S/C8H6N2O2S/c11-8(7-4-9-13-10-7)3-6-1-2-12-5-6/h1-2,4-5H,3H2
InChIKeyHDZWFXLRFUSZGS-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.56
Rot. Bonds3

About 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone

2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 105125924) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID105125924
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccoc1)c1cnsn1
InChIInChI=1S/C8H6N2O2S/c11-8(7-4-9-13-10-7)3-6-1-2-12-5-6/h1-2,4-5H,3H2
InChIKeyHDZWFXLRFUSZGS-UHFFFAOYSA-N
XLogP1.56
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone (CID 105125924) is 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone is O=C(Cc1ccoc1)c1cnsn1.
What is the InChIKey of 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is HDZWFXLRFUSZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-8(7-4-9-13-10-7)3-6-1-2-12-5-6/h1-2,4-5H,3H2.
What are the key properties of 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 194.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 105125924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).