5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

C13H12BrF3N2S — CID 106796179

IUPAC5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(Cc1cccs1)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H12BrF3N2S/c1-8(5-10-3-2-4-20-10)19-12-11(13(15,16)17)6-9(14)7-18-12/h2-4,6-8H,5H2,1H3,(H,18,19)
InChIKeySSQSWAXGIXKNTG-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.97
Rot. Bonds4

About 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796179) has the molecular formula C13H12BrF3N2S and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796179
Molecular FormulaC13H12BrF3N2S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(Cc1cccs1)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H12BrF3N2S/c1-8(5-10-3-2-4-20-10)19-12-11(13(15,16)17)6-9(14)7-18-12/h2-4,6-8H,5H2,1H3,(H,18,19)
InChIKeySSQSWAXGIXKNTG-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 115922260
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 73254462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796179) is 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is CC(Cc1cccs1)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SSQSWAXGIXKNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2S/c1-8(5-10-3-2-4-20-10)19-12-11(13(15,16)17)6-9(14)7-18-12/h2-4,6-8H,5H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 365.22 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).