methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate

C9H8N4O3S — CID 66451373

IUPACmethyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Sc2nnc(C)o2)n1
InChIInChI=1S/C9H8N4O3S/c1-5-12-13-9(16-5)17-7-4-10-3-6(11-7)8(14)15-2/h3-4H,1-2H3
InChIKeyFSBCPXLUMNQYSI-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.11
Rot. Bonds3

About methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate

methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate (PubChem CID 66451373) has the molecular formula C9H8N4O3S and a molecular weight of 252.25 g/mol. Its IUPAC name is methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate
PubChem CID66451373
Molecular FormulaC9H8N4O3S
Molecular Weight252.25 g/mol
Exact Mass252.03
IUPAC Namemethyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Sc2nnc(C)o2)n1
InChIInChI=1S/C9H8N4O3S/c1-5-12-13-9(16-5)17-7-4-10-3-6(11-7)8(14)15-2/h3-4H,1-2H3
InChIKeyFSBCPXLUMNQYSI-UHFFFAOYSA-N
XLogP1.11
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazin-2-amine
CID 80891678
methyl 6-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]pyrazine-2-carboxylate
CID 66456409
methyl 6-(4-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66452135
methyl 6-(4-methoxyphenyl)sulfanylpyrazine-2-carboxylate
CID 66449986
methyl 6-(2-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66451749
6-(6-methoxycarbonylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 66455882
methyl 6-(3-bromophenyl)sulfanylpyrazine-2-carboxylate
CID 66450002
methyl 6-[(3-bromo-2-pyridinyl)sulfanyl]pyrazine-2-carboxylate
CID 66449217
methyl 6-(2-methyloxolan-3-yl)sulfanylpyrazine-2-carboxylate
CID 107747170
3-(6-methoxycarbonylpyrazin-2-yl)sulfanylbenzoic acid
CID 66456271
methyl 6-[(2-methylphenyl)methylsulfanyl]pyrazine-2-carboxylate
CID 66449412
2-(6-methoxycarbonylpyrazin-2-yl)sulfanylbutanoic acid
CID 105354909

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate (CID 66451373) is methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate is COC(=O)c1cncc(Sc2nnc(C)o2)n1.
What is the InChIKey of methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate?
The InChIKey is FSBCPXLUMNQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3S/c1-5-12-13-9(16-5)17-7-4-10-3-6(11-7)8(14)15-2/h3-4H,1-2H3.
What are the key properties of methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate?
methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate has a molecular weight of 252.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazine-2-carboxylate is sourced from PubChem (CID 66451373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).