N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine

C13H14N2OS — CID 53355224

IUPACN-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
SMILESCOc1ccc(Nc2cccnc2SC)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-7-5-10(6-8-11)15-12-4-3-9-14-13(12)17-2/h3-9,15H,1-2H3
InChIKeyNYBGWAWXXWTVAO-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.56
Rot. Bonds4

About N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine

N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine (PubChem CID 53355224) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
PubChem CID53355224
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
SMILESCOc1ccc(Nc2cccnc2SC)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-7-5-10(6-8-11)15-12-4-3-9-14-13(12)17-2/h3-9,15H,1-2H3
InChIKeyNYBGWAWXXWTVAO-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-phenylpyridin-3-amine
CID 53355329
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 130015647
N-(4-methoxyphenyl)pyridazin-3-amine
CID 121218984
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N-(4-methoxyphenyl)-2-nitrosoaniline
CID 154665125
4-hydroxy-N-[2-(4-methoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 15294805
3-N-(4-methoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967432
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
N-(4-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303586

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine (CID 53355224) is N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine is COc1ccc(Nc2cccnc2SC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine?
The InChIKey is NYBGWAWXXWTVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-7-5-10(6-8-11)15-12-4-3-9-14-13(12)17-2/h3-9,15H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine?
N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine is sourced from PubChem (CID 53355224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).