5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide

C14H20N2O2S — CID 82960300

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCOCCN(C(=O)c1csc(C#CCN)c1)C(C)C
InChIInChI=1S/C14H20N2O2S/c1-11(2)16(7-8-18-3)14(17)12-9-13(19-10-12)5-4-6-15/h9-11H,6-8,15H2,1-3H3
InChIKeyXJPDGJBIJUYABG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.56
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 82960300) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
PubChem CID82960300
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
SMILESCOCCN(C(=O)c1csc(C#CCN)c1)C(C)C
InChIInChI=1S/C14H20N2O2S/c1-11(2)16(7-8-18-3)14(17)12-9-13(19-10-12)5-4-6-15/h9-11H,6-8,15H2,1-3H3
InChIKeyXJPDGJBIJUYABG-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-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

5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 79690255
5-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 79684439
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
5-(3-aminoprop-1-ynyl)-N-(3-methoxypropyl)thiophene-3-carboxamide
CID 79684582
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82937414
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
methyl 2-[[5-(4-hydroxybut-1-ynyl)thiophene-3-carbonyl]-propan-2-ylamino]acetate
CID 79690411
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
CID 79696521
5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)-N-methylthiophene-3-carboxamide
CID 79696690
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]acetate
CID 79696589
5-iodo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)thiophene-3-carboxamide
CID 78948411

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide (CID 82960300) is 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide is COCCN(C(=O)c1csc(C#CCN)c1)C(C)C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is XJPDGJBIJUYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(2)16(7-8-18-3)14(17)12-9-13(19-10-12)5-4-6-15/h9-11H,6-8,15H2,1-3H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 82960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).