ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate

C14H25N3O2S — CID 103425959

IUPACethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCCCN(CC)CC)cc1N
InChIInChI=1S/C14H25N3O2S/c1-4-17(5-2)9-7-8-16-12-10-11(15)13(20-12)14(18)19-6-3/h10,16H,4-9,15H2,1-3H3
InChIKeyZVRDLIHALNYOJT-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.65
Rot. Bonds9

About ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate

ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate (PubChem CID 103425959) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
PubChem CID103425959
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nameethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCCCN(CC)CC)cc1N
InChIInChI=1S/C14H25N3O2S/c1-4-17(5-2)9-7-8-16-12-10-11(15)13(20-12)14(18)19-6-3/h10,16H,4-9,15H2,1-3H3
InChIKeyZVRDLIHALNYOJT-UHFFFAOYSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate 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 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425003
ethyl 3-amino-4-[3-(diethylamino)propylamino]benzoate
CID 61306021
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 4-[3-(diethylamino)propylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2239208
methyl 3-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxylate
CID 103509921

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate (CID 103425959) is ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(NCCCN(CC)CC)cc1N.
What is the InChIKey of ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate?
The InChIKey is ZVRDLIHALNYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-17(5-2)9-7-8-16-12-10-11(15)13(20-12)14(18)19-6-3/h10,16H,4-9,15H2,1-3H3.
What are the key properties of ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate?
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate has a molecular weight of 299.44 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103425959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).