N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

C11H14F3N3O2S — CID 39162627

IUPACN-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(F)(F)F)c(C(=O)NCCN)c1C
InChIInChI=1S/C11H14F3N3O2S/c1-5-6(2)20-9(17-10(19)11(12,13)14)7(5)8(18)16-4-3-15/h3-4,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGHYPJKNWIKSAMW-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.55
Rot. Bonds4

About N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide

N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 39162627) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID39162627
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)C(F)(F)F)c(C(=O)NCCN)c1C
InChIInChI=1S/C11H14F3N3O2S/c1-5-6(2)20-9(17-10(19)11(12,13)14)7(5)8(18)16-4-3-15/h3-4,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGHYPJKNWIKSAMW-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 39162627) is N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is Cc1sc(NC(=O)C(F)(F)F)c(C(=O)NCCN)c1C.
What is the InChIKey of N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is GHYPJKNWIKSAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-5-6(2)20-9(17-10(19)11(12,13)14)7(5)8(18)16-4-3-15/h3-4,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 39162627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).