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

C11H15F3N2OS — CID 61109259

IUPAC4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(F)(F)F)C(C)C)cc1N
InChIInChI=1S/C11H15F3N2OS/c1-6(2)16(5-11(12,13)14)10(17)9-4-8(15)7(3)18-9/h4,6H,5,15H2,1-3H3
InChIKeyBYOGMUNXOXBUGF-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.05
Rot. Bonds3

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

4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61109259) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61109259
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(F)(F)F)C(C)C)cc1N
InChIInChI=1S/C11H15F3N2OS/c1-6(2)16(5-11(12,13)14)10(17)9-4-8(15)7(3)18-9/h4,6H,5,15H2,1-3H3
InChIKeyBYOGMUNXOXBUGF-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61109259) is 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(CC(F)(F)F)C(C)C)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is BYOGMUNXOXBUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-6(2)16(5-11(12,13)14)10(17)9-4-8(15)7(3)18-9/h4,6H,5,15H2,1-3H3.
What are the key properties of 4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 3.05, 3 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-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61109259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).