1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone

C15H15N5O2S — CID 50850496

IUPAC1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone
SMILESO=C(Cc1ccccc1-c1nn2cnnc2s1)N1CCOCC1
InChIInChI=1S/C15H15N5O2S/c21-13(19-5-7-22-8-6-19)9-11-3-1-2-4-12(11)14-18-20-10-16-17-15(20)23-14/h1-4,10H,5-9H2
InChIKeyHUTRXJSPDWNIFP-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.25
Rot. Bonds3

About 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone

1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone (PubChem CID 50850496) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone
PubChem CID50850496
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone
SMILESO=C(Cc1ccccc1-c1nn2cnnc2s1)N1CCOCC1
InChIInChI=1S/C15H15N5O2S/c21-13(19-5-7-22-8-6-19)9-11-3-1-2-4-12(11)14-18-20-10-16-17-15(20)23-14/h1-4,10H,5-9H2
InChIKeyHUTRXJSPDWNIFP-UHFFFAOYSA-N
XLogP1.25
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone (CID 50850496) is 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone is O=C(Cc1ccccc1-c1nn2cnnc2s1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone?
The InChIKey is HUTRXJSPDWNIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-13(19-5-7-22-8-6-19)9-11-3-1-2-4-12(11)14-18-20-10-16-17-15(20)23-14/h1-4,10H,5-9H2.
What are the key properties of 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone?
1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone has a molecular weight of 329.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]ethanone is sourced from PubChem (CID 50850496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).