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

C8H9F3N2OS — CID 61094705

IUPAC4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2OS/c1-4-5(12)2-6(15-4)7(14)13-3-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyVNHKQFHGQMMXNI-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.93
Rot. Bonds2

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

4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61094705) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61094705
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C8H9F3N2OS/c1-4-5(12)2-6(15-4)7(14)13-3-8(9,10)11/h2H,3,12H2,1H3,(H,13,14)
InChIKeyVNHKQFHGQMMXNI-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61094705) is 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is VNHKQFHGQMMXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-4-5(12)2-6(15-4)7(14)13-3-8(9,10)11/h2H,3,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 238.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61094705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).