5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide

C12H16N2OS — CID 79696521

IUPAC5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1csc(C#CCN)c1
InChIInChI=1S/C12H16N2OS/c1-3-14(4-2)12(15)10-8-11(16-9-10)6-5-7-13/h8-9H,3-4,7,13H2,1-2H3
InChIKeyOLZSBUHZEOSXJU-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.54
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide (PubChem CID 79696521) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
PubChem CID79696521
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1csc(C#CCN)c1
InChIInChI=1S/C12H16N2OS/c1-3-14(4-2)12(15)10-8-11(16-9-10)6-5-7-13/h8-9H,3-4,7,13H2,1-2H3
InChIKeyOLZSBUHZEOSXJU-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylthiophene-3-carboxamide
CID 79683563
5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 79684356
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696423
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696873
5-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 79684439
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide
CID 79691709
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79683547
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82960300
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
5-(3-aminoprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696256
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]acetate
CID 79696589

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide (CID 79696521) is 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide is CCN(CC)C(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide?
The InChIKey is OLZSBUHZEOSXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-14(4-2)12(15)10-8-11(16-9-10)6-5-7-13/h8-9H,3-4,7,13H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N,N-diethylthiophene-3-carboxamide is sourced from PubChem (CID 79696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).