dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate

C14H13N3O5S — CID 897880

IUPACdimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1C
InChIInChI=1S/C14H13N3O5S/c1-7-9(13(19)21-2)12(23-10(7)14(20)22-3)17-11(18)8-6-15-4-5-16-8/h4-6H,1-3H3,(H,17,18)
InChIKeyFAAMPPHAIWSSSF-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.67
Rot. Bonds4

About dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate (PubChem CID 897880) has the molecular formula C14H13N3O5S and a molecular weight of 335.34 g/mol. Its IUPAC name is dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
PubChem CID897880
Molecular FormulaC14H13N3O5S
Molecular Weight335.34 g/mol
Exact Mass335.06
IUPAC Namedimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1C
InChIInChI=1S/C14H13N3O5S/c1-7-9(13(19)21-2)12(23-10(7)14(20)22-3)17-11(18)8-6-15-4-5-16-8/h4-6H,1-3H3,(H,17,18)
InChIKeyFAAMPPHAIWSSSF-UHFFFAOYSA-N
XLogP1.67
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(2-pyrazinylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 822711
[2-[(3-Ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2413606
Methyl 5-[(diethylamino)carbonyl]-2-(isonicotinoylamino)-4-methyl-3-thiophenecarboxylate
CID 1293939
Methyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313057
Diethyl 3-methyl-5-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2338868
Diethyl 3-methyl-5-[[2-(pyridin-3-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2340009
[2-[[5-(Dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 24979037
Methyl 4,5-dimethyl-2-(3-pyridylcarbonylamino)thiophene-3-carboxylate
CID 705283
Methyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 2932963
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985595
[2-[[5-(Dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 24979771
[2-[[3-Ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 24982355

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate (CID 897880) is dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
The InChIKey is FAAMPPHAIWSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S/c1-7-9(13(19)21-2)12(23-10(7)14(20)22-3)17-11(18)8-6-15-4-5-16-8/h4-6H,1-3H3,(H,17,18).
What are the key properties of dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate has a molecular weight of 335.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 897880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).