5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide

C10H13F3N2OS — CID 81463264

IUPAC5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCCC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)2-1-3-15-5-8-4-7(6-17-8)9(14)16/h4,6,15H,1-3,5H2,(H2,14,16)
InChIKeyHXQKPBHJXMQRAU-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.28
Rot. Bonds6

About 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide

5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide (PubChem CID 81463264) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
PubChem CID81463264
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCCC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)2-1-3-15-5-8-4-7(6-17-8)9(14)16/h4,6,15H,1-3,5H2,(H2,14,16)
InChIKeyHXQKPBHJXMQRAU-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
tert-butyl N-[3-[(4-carbamoylthiophen-2-yl)methylamino]propyl]carbamate
CID 103801906
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
3-[(4,4,4-trifluorobutylamino)methyl]benzamide
CID 79039829
5-[[(3-morpholin-4-yl-3-oxopropyl)amino]methyl]thiophene-3-carboxamide
CID 115735562
5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
CID 79614227
5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613625
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide (CID 81463264) is 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCCCC(F)(F)F)c1.
What is the InChIKey of 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide?
The InChIKey is HXQKPBHJXMQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)2-1-3-15-5-8-4-7(6-17-8)9(14)16/h4,6,15H,1-3,5H2,(H2,14,16).
What are the key properties of 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide?
5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4,4-trifluorobutylamino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 81463264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).