3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide

C11H18N4O3S — CID 103428666

IUPAC3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
SMILESCCOCCNc1sc(C(=O)NC)c(N)c1C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-3-18-5-4-15-11-6(9(13)16)7(12)8(19-11)10(17)14-2/h15H,3-5,12H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyRULRAUTVBDKEHL-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.24
Rot. Bonds7

About 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide

3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide (PubChem CID 103428666) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
PubChem CID103428666
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
SMILESCCOCCNc1sc(C(=O)NC)c(N)c1C(N)=O
InChIInChI=1S/C11H18N4O3S/c1-3-18-5-4-15-11-6(9(13)16)7(12)8(19-11)10(17)14-2/h15H,3-5,12H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyRULRAUTVBDKEHL-UHFFFAOYSA-N
XLogP0.24
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-2-(2-methoxyethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103423373
3-amino-2-N-methyl-5-(2-methylprop-2-enylamino)thiophene-2,4-dicarboxamide
CID 103507417
3-amino-5-(2-methoxyethylamino)-4-N-methyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103423352
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
CID 103506465
3-amino-5-(2-ethoxyethylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103428586
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423057
4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
CID 103506398
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
CID 103428671

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide (CID 103428666) is 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide is CCOCCNc1sc(C(=O)NC)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
The InChIKey is RULRAUTVBDKEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-18-5-4-15-11-6(9(13)16)7(12)8(19-11)10(17)14-2/h15H,3-5,12H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide?
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide has a molecular weight of 286.36 g/mol, XLogP of 0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103428666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).