N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline

C14H13BrF3NS2 — CID 63433281

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C14H13BrF3NS2/c1-9(11-6-7-13(15)21-11)19-10-4-2-3-5-12(10)20-8-14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyJSGAQKDPRWKDKR-UHFFFAOYSA-N
MW396.30 g/mol
LogP6.34
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 63433281) has the molecular formula C14H13BrF3NS2 and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID63433281
Molecular FormulaC14H13BrF3NS2
Molecular Weight396.30 g/mol
Exact Mass394.96
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCC(Nc1ccccc1SCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C14H13BrF3NS2/c1-9(11-6-7-13(15)21-11)19-10-4-2-3-5-12(10)20-8-14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyJSGAQKDPRWKDKR-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.30
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43782778
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691329
N-[1-(5-bromothiophen-2-yl)ethyl]-2-ethylsulfonylaniline
CID 61000541
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
2,6-dibromo-N-[1-(5-bromothiophen-2-yl)ethyl]aniline
CID 107597590
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methylpyridin-3-amine
CID 79042136
2-[1-(5-bromothiophen-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803553
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 63433281) is N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline is CC(Nc1ccccc1SCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is JSGAQKDPRWKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NS2/c1-9(11-6-7-13(15)21-11)19-10-4-2-3-5-12(10)20-8-14(16,17)18/h2-7,9,19H,8H2,1H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 396.30 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 63433281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).