3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide

C15H28N4OS — CID 103425930

IUPAC3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCCN(CC)CC)cc1N
InChIInChI=1S/C15H28N4OS/c1-4-8-18-15(20)14-12(16)11-13(21-14)17-9-7-10-19(5-2)6-3/h11,17H,4-10,16H2,1-3H3,(H,18,20)
InChIKeyYQWGWLMSNJVDFX-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.61
Rot. Bonds10

About 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide

3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide (PubChem CID 103425930) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
PubChem CID103425930
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCCCN(CC)CC)cc1N
InChIInChI=1S/C15H28N4OS/c1-4-8-18-15(20)14-12(16)11-13(21-14)17-9-7-10-19(5-2)6-3/h11,17H,4-10,16H2,1-3H3,(H,18,20)
InChIKeyYQWGWLMSNJVDFX-UHFFFAOYSA-N
XLogP2.61
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide 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-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
CID 106424952
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103526738
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
3-amino-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426968
3-amino-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432235
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
CID 103526426
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide (CID 103425930) is 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCCCN(CC)CC)cc1N.
What is the InChIKey of 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide?
The InChIKey is YQWGWLMSNJVDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-4-8-18-15(20)14-12(16)11-13(21-14)17-9-7-10-19(5-2)6-3/h11,17H,4-10,16H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide?
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide has a molecular weight of 312.48 g/mol, XLogP of 2.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103425930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).