N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine

C12H11F3N2S — CID 66330449

IUPACN-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccsc1
InChIInChI=1S/C12H11F3N2S/c1-8(9-3-5-18-7-9)17-11-6-10(2-4-16-11)12(13,14)15/h2-8H,1H3,(H,16,17)
InChIKeyXWGMFUYXJOSABY-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.34
Rot. Bonds3

About N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine

N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330449) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330449
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1cc(C(F)(F)F)ccn1)c1ccsc1
InChIInChI=1S/C12H11F3N2S/c1-8(9-3-5-18-7-9)17-11-6-10(2-4-16-11)12(13,14)15/h2-8H,1H3,(H,16,17)
InChIKeyXWGMFUYXJOSABY-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331036
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
N-(1-thiophen-3-ylethyl)pyrazin-2-amine
CID 62845252
5-methyl-2-N-(1-thiophen-3-ylethyl)pyridine-2,4-diamine
CID 83265635
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
4-bromo-N-(1-thiophen-3-ylethyl)-3-(trifluoromethyl)aniline
CID 63426220
1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 66328480
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66330449) is N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine is CC(Nc1cc(C(F)(F)F)ccn1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XWGMFUYXJOSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-8(9-3-5-18-7-9)17-11-6-10(2-4-16-11)12(13,14)15/h2-8H,1H3,(H,16,17).
What are the key properties of N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 272.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).