5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C13H15F3N2OS — CID 79684356

IUPAC5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1csc(C#CCN)c1
InChIInChI=1S/C13H15F3N2OS/c1-2-6-18(9-13(14,15)16)12(19)10-7-11(20-8-10)4-3-5-17/h7-8H,2,5-6,9,17H2,1H3
InChIKeyAAAJLGIULSRSIR-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.47
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 79684356) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID79684356
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1csc(C#CCN)c1
InChIInChI=1S/C13H15F3N2OS/c1-2-6-18(9-13(14,15)16)12(19)10-7-11(20-8-10)4-3-5-17/h7-8H,2,5-6,9,17H2,1H3
InChIKeyAAAJLGIULSRSIR-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.47
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,N-diethylthiophene-3-carboxamide
CID 79696521
5-iodo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948563
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylthiophene-3-carboxamide
CID 79683563
5-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 79684439
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695876
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 79696873
5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79683547
3-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81460123
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(3-fluorophenyl)thiophene-3-carboxamide
CID 79691709
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82960300
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]acetate
CID 79696589
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 79684356) is 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CCCN(CC(F)(F)F)C(=O)c1csc(C#CCN)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is AAAJLGIULSRSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-2-6-18(9-13(14,15)16)12(19)10-7-11(20-8-10)4-3-5-17/h7-8H,2,5-6,9,17H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 2.47, 4 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-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79684356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).