4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H11F3N2OS — CID 61101958

IUPAC4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2OS/c1-5-6(13)3-7(16-5)8(15)14(2)4-9(10,11)12/h3H,4,13H2,1-2H3
InChIKeyNZEXKDOFIQNYAS-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.27
Rot. Bonds2

About 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61101958) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61101958
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2OS/c1-5-6(13)3-7(16-5)8(15)14(2)4-9(10,11)12/h3H,4,13H2,1-2H3
InChIKeyNZEXKDOFIQNYAS-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
CID 55135924
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-5-methylthiophene-2-carboxylate
CID 61492308
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
4-amino-5-methyl-N,N-bis(3-methylbutyl)thiophene-2-carboxamide
CID 61106447
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
CID 61108711
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61101958) is 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(C)CC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is NZEXKDOFIQNYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-5-6(13)3-7(16-5)8(15)14(2)4-9(10,11)12/h3H,4,13H2,1-2H3.
What are the key properties of 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 252.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).