N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine

C10H8F3NOS — CID 166850415

IUPACN-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine
SMILESCNc1cc2cc(OC(F)(F)F)ccc2s1
InChIInChI=1S/C10H8F3NOS/c1-14-9-5-6-4-7(15-10(11,12)13)2-3-8(6)16-9/h2-5,14H,1H3
InChIKeyWNOAXTCUEHCMHB-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.84
Rot. Bonds2

About N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine

N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine (PubChem CID 166850415) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine
PubChem CID166850415
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC NameN-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine
SMILESCNc1cc2cc(OC(F)(F)F)ccc2s1
InChIInChI=1S/C10H8F3NOS/c1-14-9-5-6-4-7(15-10(11,12)13)2-3-8(6)16-9/h2-5,14H,1H3
InChIKeyWNOAXTCUEHCMHB-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine?
The IUPAC name of N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine (CID 166850415) is N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine.
What is the SMILES notation for N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine?
The canonical SMILES for N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine is CNc1cc2cc(OC(F)(F)F)ccc2s1.
What is the InChIKey of N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine?
The InChIKey is WNOAXTCUEHCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-14-9-5-6-4-7(15-10(11,12)13)2-3-8(6)16-9/h2-5,14H,1H3.
What are the key properties of N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine?
N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine has a molecular weight of 247.24 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine is sourced from PubChem (CID 166850415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).