1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone

C6H5N3OS — CID 13016960

IUPAC1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone
SMILESCC(=O)c1nnc2sccn12
InChIInChI=1S/C6H5N3OS/c1-4(10)5-7-8-6-9(5)2-3-11-6/h2-3H,1H3
InChIKeyISYPPMXGXWHWGT-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.99
Rot. Bonds1

About 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone

1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone (PubChem CID 13016960) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone
PubChem CID13016960
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone
SMILESCC(=O)c1nnc2sccn12
InChIInChI=1S/C6H5N3OS/c1-4(10)5-7-8-6-9(5)2-3-11-6/h2-3H,1H3
InChIKeyISYPPMXGXWHWGT-UHFFFAOYSA-N
XLogP0.99
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone?
The IUPAC name of 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone (CID 13016960) is 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone.
What is the SMILES notation for 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone?
The canonical SMILES for 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone is CC(=O)c1nnc2sccn12.
What is the InChIKey of 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone?
The InChIKey is ISYPPMXGXWHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4(10)5-7-8-6-9(5)2-3-11-6/h2-3H,1H3.
What are the key properties of 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone?
1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone has a molecular weight of 167.19 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanone is sourced from PubChem (CID 13016960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).