N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine

C13H13F3N2OS — CID 82810692

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCSCc1ccc(CNc2ccc(C(F)(F)F)nc2)o1
InChIInChI=1S/C13H13F3N2OS/c1-20-8-11-4-3-10(19-11)7-17-9-2-5-12(18-6-9)13(14,15)16/h2-6,17H,7-8H2,1H3
InChIKeyUUZJAAABJUXEPK-UHFFFAOYSA-N
MW302.32 g/mol
LogP4.17
Rot. Bonds5

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82810692) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82810692
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCSCc1ccc(CNc2ccc(C(F)(F)F)nc2)o1
InChIInChI=1S/C13H13F3N2OS/c1-20-8-11-4-3-10(19-11)7-17-9-2-5-12(18-6-9)13(14,15)16/h2-6,17H,7-8H2,1H3
InChIKeyUUZJAAABJUXEPK-UHFFFAOYSA-N
XLogP4.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]furan-2-yl]methanol
CID 82811906
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 43766190
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943071
N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82794611
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43755673
4-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 43760268
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811102
4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitroaniline
CID 43785550

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 82810692) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine is CSCc1ccc(CNc2ccc(C(F)(F)F)nc2)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is UUZJAAABJUXEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-20-8-11-4-3-10(19-11)7-17-9-2-5-12(18-6-9)13(14,15)16/h2-6,17H,7-8H2,1H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 302.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82810692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).