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

C12H9F3N2OS — CID 55118581

IUPAC4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(F)c(F)cc2F)cc1N
InChIInChI=1S/C12H9F3N2OS/c1-5-9(16)4-11(19-5)12(18)17-10-3-7(14)6(13)2-8(10)15/h2-4H,16H2,1H3,(H,17,18)
InChIKeyFKEHOROSERESNL-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.31
Rot. Bonds2

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

4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide (PubChem CID 55118581) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
PubChem CID55118581
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(F)c(F)cc2F)cc1N
InChIInChI=1S/C12H9F3N2OS/c1-5-9(16)4-11(19-5)12(18)17-10-3-7(14)6(13)2-8(10)15/h2-4H,16H2,1H3,(H,17,18)
InChIKeyFKEHOROSERESNL-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide (CID 55118581) is 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(F)c(F)cc2F)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
The InChIKey is FKEHOROSERESNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-5-9(16)4-11(19-5)12(18)17-10-3-7(14)6(13)2-8(10)15/h2-4H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 3.31, 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-(2,4,5-trifluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55118581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).