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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Related Compounds

[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 163271807
5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
CID 163271647
methyl 5-methylsulfinyl-1,3-thiazole-2-carboxylate
CID 168792312
methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
CID 115017066
5-(6-ethoxypyrazin-2-yl)-2-methyl-1,3-thiazole
CID 163271121
N-[(1R)-1-(3-bromophenyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 167386355
5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271022
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate
CID 21398889
methyl 4-pyrazin-2-yl-1,3-thiazole-2-carboxylate
CID 133058817
methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
CID 106447133
methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
CID 103372984

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).