1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

C11H13N5OS — CID 47352034

IUPAC1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESO=C(Cc1nc2ncccn2n1)N1CCSCC1
InChIInChI=1S/C11H13N5OS/c17-10(15-4-6-18-7-5-15)8-9-13-11-12-2-1-3-16(11)14-9/h1-3H,4-8H2
InChIKeyQYLABOPDQZKOBA-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.24
Rot. Bonds2

About 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (PubChem CID 47352034) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
PubChem CID47352034
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESO=C(Cc1nc2ncccn2n1)N1CCSCC1
InChIInChI=1S/C11H13N5OS/c17-10(15-4-6-18-7-5-15)8-9-13-11-12-2-1-3-16(11)14-9/h1-3H,4-8H2
InChIKeyQYLABOPDQZKOBA-UHFFFAOYSA-N
XLogP0.24
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (CID 47352034) is 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is O=C(Cc1nc2ncccn2n1)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The InChIKey is QYLABOPDQZKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c17-10(15-4-6-18-7-5-15)8-9-13-11-12-2-1-3-16(11)14-9/h1-3H,4-8H2.
What are the key properties of 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone has a molecular weight of 263.33 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 47352034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).