ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate

C12H19N3O4S — CID 103423373

IUPACethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NCCOC)sc(C(=O)NC)c1N
InChIInChI=1S/C12H19N3O4S/c1-4-19-12(17)7-8(13)9(10(16)14-2)20-11(7)15-5-6-18-3/h15H,4-6,13H2,1-3H3,(H,14,16)
InChIKeySYJNMIZAEOKBAS-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.92
Rot. Bonds7

About ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate

ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate (PubChem CID 103423373) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
PubChem CID103423373
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Nameethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NCCOC)sc(C(=O)NC)c1N
InChIInChI=1S/C12H19N3O4S/c1-4-19-12(17)7-8(13)9(10(16)14-2)20-11(7)15-5-6-18-3/h15H,4-6,13H2,1-3H3,(H,14,16)
InChIKeySYJNMIZAEOKBAS-UHFFFAOYSA-N
XLogP0.92
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
ethyl 4-amino-2-(3-methylbutan-2-ylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103426878
4-O-ethyl 2-O-methyl 3-amino-5-(ethylamino)thiophene-2,4-dicarboxylate
CID 103424477
4-O-ethyl 2-O-methyl 3-amino-5-[2-(dimethylamino)ethylamino]thiophene-2,4-dicarboxylate
CID 103424347
ethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(propylamino)thiophene-3-carboxylate
CID 103423052
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103505718
5-acetyl-4-amino-2-(3-methoxypropylamino)-N-methylthiophene-3-carboxamide
CID 103427047

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate (CID 103423373) is ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate is CCOC(=O)c1c(NCCOC)sc(C(=O)NC)c1N.
What is the InChIKey of ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is SYJNMIZAEOKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-19-12(17)7-8(13)9(10(16)14-2)20-11(7)15-5-6-18-3/h15H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate?
ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 103423373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).