4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C13H17F3N2OS — CID 61106091

IUPAC4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(F)(F)F)C(C)C2CC2)cc1N
InChIInChI=1S/C13H17F3N2OS/c1-7(9-3-4-9)18(6-13(14,15)16)12(19)11-5-10(17)8(2)20-11/h5,7,9H,3-4,6,17H2,1-2H3
InChIKeyGEKHBFUISUQGJU-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.44
Rot. Bonds4

About 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61106091) has the molecular formula C13H17F3N2OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61106091
Molecular FormulaC13H17F3N2OS
Molecular Weight306.35 g/mol
Exact Mass306.10
IUPAC Name4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N(CC(F)(F)F)C(C)C2CC2)cc1N
InChIInChI=1S/C13H17F3N2OS/c1-7(9-3-4-9)18(6-13(14,15)16)12(19)11-5-10(17)8(2)20-11/h5,7,9H,3-4,6,17H2,1-2H3
InChIKeyGEKHBFUISUQGJU-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61106091) is 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)N(CC(F)(F)F)C(C)C2CC2)cc1N.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is GEKHBFUISUQGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2OS/c1-7(9-3-4-9)18(6-13(14,15)16)12(19)11-5-10(17)8(2)20-11/h5,7,9H,3-4,6,17H2,1-2H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61106091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).