3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide

C10H14F3N3OS — CID 103505964

IUPAC3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCCC(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3OS/c1-15-9(17)8-6(14)5-7(18-8)16-4-2-3-10(11,12)13/h5,16H,2-4,14H2,1H3,(H,15,17)
InChIKeyADMRVXRNRHHTAK-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.44
Rot. Bonds5

About 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide

3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide (PubChem CID 103505964) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
PubChem CID103505964
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCCCC(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3OS/c1-15-9(17)8-6(14)5-7(18-8)16-4-2-3-10(11,12)13/h5,16H,2-4,14H2,1H3,(H,15,17)
InChIKeyADMRVXRNRHHTAK-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
1-[3-amino-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505977
1-[3-amino-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]propan-1-one
CID 103506034
3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
CID 103509920
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
CID 106045453
3-amino-4-cyano-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505953
3-amino-4-cyclopropyl-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505983
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
3-amino-4-cyano-N-methyl-5-(5,5,5-trifluoropentylamino)thiophene-2-carboxamide
CID 103506020
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide (CID 103505964) is 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide is CNC(=O)c1sc(NCCCC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide?
The InChIKey is ADMRVXRNRHHTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-15-9(17)8-6(14)5-7(18-8)16-4-2-3-10(11,12)13/h5,16H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide?
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103505964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).