N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C12H9F3N2OS — CID 43548409

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)9-5-8(16)1-2-10(9)17-11(18)7-3-4-19-6-7/h1-6H,16H2,(H,17,18)
InChIKeyKOVHDYHAXZLQJH-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.60
Rot. Bonds2

About N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide

N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 43548409) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID43548409
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H9F3N2OS/c13-12(14,15)9-5-8(16)1-2-10(9)17-11(18)7-3-4-19-6-7/h1-6H,16H2,(H,17,18)
InChIKeyKOVHDYHAXZLQJH-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 43548409) is N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is Nc1ccc(NC(=O)c2ccsc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is KOVHDYHAXZLQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c13-12(14,15)9-5-8(16)1-2-10(9)17-11(18)7-3-4-19-6-7/h1-6H,16H2,(H,17,18).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 43548409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).