3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one

C10H11N3O2S — CID 103240598

IUPAC3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
SMILESCc1ncsc1CCOc1ncc[nH]c1=O
InChIInChI=1S/C10H11N3O2S/c1-7-8(16-6-13-7)2-5-15-10-9(14)11-3-4-12-10/h3-4,6H,2,5H2,1H3,(H,11,14)
InChIKeyIEYUOHOIURTJNH-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.16
Rot. Bonds4

About 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one

3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one (PubChem CID 103240598) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
PubChem CID103240598
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
SMILESCc1ncsc1CCOc1ncc[nH]c1=O
InChIInChI=1S/C10H11N3O2S/c1-7-8(16-6-13-7)2-5-15-10-9(14)11-3-4-12-10/h3-4,6H,2,5H2,1H3,(H,11,14)
InChIKeyIEYUOHOIURTJNH-UHFFFAOYSA-N
XLogP1.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one (CID 103240598) is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one is Cc1ncsc1CCOc1ncc[nH]c1=O.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one?
The InChIKey is IEYUOHOIURTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7-8(16-6-13-7)2-5-15-10-9(14)11-3-4-12-10/h3-4,6H,2,5H2,1H3,(H,11,14).
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one?
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one has a molecular weight of 237.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one is sourced from PubChem (CID 103240598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).