ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate

C12H15N3O3S — CID 163271303

IUPACethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate
SMILESCC.COC(=O)c1ncc(-c2cncc(OC)n2)s1
InChIInChI=1S/C10H9N3O3S.C2H6/c1-15-8-5-11-3-6(13-8)7-4-12-9(17-7)10(14)16-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGLEULFHBUPJMHJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.42
Rot. Bonds3

About ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate

ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate (PubChem CID 163271303) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate
PubChem CID163271303
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Nameethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate
SMILESCC.COC(=O)c1ncc(-c2cncc(OC)n2)s1
InChIInChI=1S/C10H9N3O3S.C2H6/c1-15-8-5-11-3-6(13-8)7-4-12-9(17-7)10(14)16-2;1-2/h3-5H,1-2H3;1-2H3
InChIKeyGLEULFHBUPJMHJ-UHFFFAOYSA-N
XLogP2.42
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate (CID 163271303) is ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate is CC.COC(=O)c1ncc(-c2cncc(OC)n2)s1.
What is the InChIKey of ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is GLEULFHBUPJMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S.C2H6/c1-15-8-5-11-3-6(13-8)7-4-12-9(17-7)10(14)16-2;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate?
ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 281.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-(6-methoxypyrazin-2-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 163271303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).