methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate

C14H11N3O2S — CID 66451733

IUPACmethyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C14H11N3O2S/c1-19-14(18)11-7-15-8-13(17-11)16-10-2-3-12-9(6-10)4-5-20-12/h2-8H,1H3,(H,16,17)
InChIKeyFMFRWTUHRAWUCA-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.22
Rot. Bonds3

About methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate

methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate (PubChem CID 66451733) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
PubChem CID66451733
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Namemethyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C14H11N3O2S/c1-19-14(18)11-7-15-8-13(17-11)16-10-2-3-12-9(6-10)4-5-20-12/h2-8H,1H3,(H,16,17)
InChIKeyFMFRWTUHRAWUCA-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
CID 66451042
6-(1-benzothiophen-5-ylamino)pyridazine-3-carboxylic acid
CID 65450510
methyl 4-(1-benzothiophen-5-ylcarbamoyl)benzoate
CID 2423033
methyl 6-(2-chloro-5-methylanilino)pyrazine-2-carboxylate
CID 107636127
methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
methyl 2-amino-3-(1-benzothiophen-5-ylamino)benzoate
CID 115546387
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate (CID 66451733) is methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(Nc2ccc3sccc3c2)n1.
What is the InChIKey of methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate?
The InChIKey is FMFRWTUHRAWUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-14(18)11-7-15-8-13(17-11)16-10-2-3-12-9(6-10)4-5-20-12/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate?
methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-benzothiophen-5-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66451733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).