methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate

C14H15N3O5S — CID 70123420

IUPACmethyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(=O)OC(C)(C)C)sc2nccnc12
InChIInChI=1S/C14H15N3O5S/c1-14(2,3)22-13(20)9(18)17-10-7(12(19)21-4)8-11(23-10)16-6-5-15-8/h5-6H,1-4H3,(H,17,18)
InChIKeyGPTIPHKUGIHHSA-UHFFFAOYSA-N
MW337.36 g/mol
LogP1.76
Rot. Bonds2

About methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate

methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate (PubChem CID 70123420) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate
PubChem CID70123420
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Namemethyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(=O)OC(C)(C)C)sc2nccnc12
InChIInChI=1S/C14H15N3O5S/c1-14(2,3)22-13(20)9(18)17-10-7(12(19)21-4)8-11(23-10)16-6-5-15-8/h5-6H,1-4H3,(H,17,18)
InChIKeyGPTIPHKUGIHHSA-UHFFFAOYSA-N
XLogP1.76
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate (CID 70123420) is methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate is COC(=O)c1c(NC(=O)C(=O)OC(C)(C)C)sc2nccnc12.
What is the InChIKey of methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate?
The InChIKey is GPTIPHKUGIHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-14(2,3)22-13(20)9(18)17-10-7(12(19)21-4)8-11(23-10)16-6-5-15-8/h5-6H,1-4H3,(H,17,18).
What are the key properties of methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate?
methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate has a molecular weight of 337.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]thieno[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 70123420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).