1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone

C14H9N3O2S2 — CID 730319

IUPAC1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
SMILESO=C(CSc1nnc2sc3ccccc3n12)c1ccco1
InChIInChI=1S/C14H9N3O2S2/c18-10(11-5-3-7-19-11)8-20-13-15-16-14-17(13)9-4-1-2-6-12(9)21-14/h1-7H,8H2
InChIKeyJURPOFUGWOBVIO-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.51
Rot. Bonds4

About 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone

1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone (PubChem CID 730319) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
PubChem CID730319
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC Name1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
SMILESO=C(CSc1nnc2sc3ccccc3n12)c1ccco1
InChIInChI=1S/C14H9N3O2S2/c18-10(11-5-3-7-19-11)8-20-13-15-16-14-17(13)9-4-1-2-6-12(9)21-14/h1-7H,8H2
InChIKeyJURPOFUGWOBVIO-UHFFFAOYSA-N
XLogP3.51
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone (CID 730319) is 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone is O=C(CSc1nnc2sc3ccccc3n12)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone?
The InChIKey is JURPOFUGWOBVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c18-10(11-5-3-7-19-11)8-20-13-15-16-14-17(13)9-4-1-2-6-12(9)21-14/h1-7H,8H2.
What are the key properties of 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone?
1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone has a molecular weight of 315.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone is sourced from PubChem (CID 730319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).