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

C11H15F3N2OS — CID 55150916

IUPAC4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C11H15F3N2OS/c1-3-4-16(6-11(12,13)14)10(17)9-5-8(15)7(2)18-9/h5H,3-4,6,15H2,1-2H3
InChIKeyGUSHRYGHQPCNAF-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.05
Rot. Bonds4

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

4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 55150916) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID55150916
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C11H15F3N2OS/c1-3-4-16(6-11(12,13)14)10(17)9-5-8(15)7(2)18-9/h5H,3-4,6,15H2,1-2H3
InChIKeyGUSHRYGHQPCNAF-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride
CID 3077113
N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 45264573
5-Methyl-4-(3-sulfanylpropanoylamino)thiophene-2-carboxamide
CID 177680647
4-amino-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 62880271
4-amino-5-[1-[(1,1-difluoropropan-2-ylideneamino)-methylamino]ethenyl]-N-(4-fluorohept-5-en-2-yl)thiophene-2-carboxamide
CID 123197724
4-amino-N-(2-fluoroethyl)thiophene-2-carboxamide
CID 130922992
5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323119
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(difluoromethyl)-4-fluorothiophene-2-carboxamide
CID 146323120
5-amino-N-[(Z)-1,3-difluorohex-2-en-2-yl]thiophene-2-carboxamide
CID 164098461
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-isocyano-5-(trifluoromethyl)thiophene-2-carboxamide
CID 166024220
5-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-N,2-N-dimethylthiophene-2,5-dicarboxamide
CID 167539891
2-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-N-methylthiophene-2,5-dicarboxamide
CID 167635426

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 55150916) is 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is GUSHRYGHQPCNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-3-4-16(6-11(12,13)14)10(17)9-5-8(15)7(2)18-9/h5H,3-4,6,15H2,1-2H3.
What are the key properties of 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55150916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).