4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide

C10H13F3N2O2S — CID 55261250

IUPAC4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCOCC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O2S/c1-6-7(14)4-8(18-6)9(16)15-2-3-17-5-10(11,12)13/h4H,2-3,5,14H2,1H3,(H,15,16)
InChIKeyJLBBEXPNFJNGLY-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide

4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide (PubChem CID 55261250) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
PubChem CID55261250
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCOCC(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2O2S/c1-6-7(14)4-8(18-6)9(16)15-2-3-17-5-10(11,12)13/h4H,2-3,5,14H2,1H3,(H,15,16)
InChIKeyJLBBEXPNFJNGLY-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide (CID 55261250) is 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide is Cc1sc(C(=O)NCCOCC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is JLBBEXPNFJNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6-7(14)4-8(18-6)9(16)15-2-3-17-5-10(11,12)13/h4H,2-3,5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide?
4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55261250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).