ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate

C14H14N4O4S — CID 5169463

IUPACethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(N)=O)c1C
InChIInChI=1S/C14H14N4O4S/c1-3-22-14(21)9-7(2)10(11(15)19)23-13(9)18-12(20)8-6-16-4-5-17-8/h4-6H,3H2,1-2H3,(H2,15,19)(H,18,20)
InChIKeyVWPKMSORBBHOCE-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.37
Rot. Bonds5

About ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate

ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 5169463) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
PubChem CID5169463
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Nameethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(N)=O)c1C
InChIInChI=1S/C14H14N4O4S/c1-3-22-14(21)9-7(2)10(11(15)19)23-13(9)18-12(20)8-6-16-4-5-17-8/h4-6H,3H2,1-2H3,(H2,15,19)(H,18,20)
InChIKeyVWPKMSORBBHOCE-UHFFFAOYSA-N
XLogP1.37
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4,5-dimethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 1672531
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
Ethyl 5-acetyl-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 896008
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
4-(Dimethylamino)-1-({[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}methyl)pyridin-1-ium chloride
CID 16192966
[2-[[5-(Dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 24979037
Ethyl 4-ethyl-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 840043
Methyl 4,5-dimethyl-2-(3-pyridylcarbonylamino)thiophene-3-carboxylate
CID 705283

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate (CID 5169463) is ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cnccn2)sc(C(N)=O)c1C.
What is the InChIKey of ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is VWPKMSORBBHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-3-22-14(21)9-7(2)10(11(15)19)23-13(9)18-12(20)8-6-16-4-5-17-8/h4-6H,3H2,1-2H3,(H2,15,19)(H,18,20).
What are the key properties of ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate?
ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 334.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-4-methyl-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 5169463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).