2-(4-methylsulfanylphenoxy)pyridin-4-amine

C12H12N2OS — CID 63649308

IUPAC2-(4-methylsulfanylphenoxy)pyridin-4-amine
SMILESCSc1ccc(Oc2cc(N)ccn2)cc1
InChIInChI=1S/C12H12N2OS/c1-16-11-4-2-10(3-5-11)15-12-8-9(13)6-7-14-12/h2-8H,1H3,(H2,13,14)
InChIKeyFUWBGWCQSGRZFD-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.18
Rot. Bonds3

About 2-(4-methylsulfanylphenoxy)pyridin-4-amine

2-(4-methylsulfanylphenoxy)pyridin-4-amine (PubChem CID 63649308) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)pyridin-4-amine
PubChem CID63649308
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(4-methylsulfanylphenoxy)pyridin-4-amine
SMILESCSc1ccc(Oc2cc(N)ccn2)cc1
InChIInChI=1S/C12H12N2OS/c1-16-11-4-2-10(3-5-11)15-12-8-9(13)6-7-14-12/h2-8H,1H3,(H2,13,14)
InChIKeyFUWBGWCQSGRZFD-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)pyridin-4-amine
CID 1236667
[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methanol
CID 55245584
4-(6-methylsulfanylpyrimidin-4-yl)oxyaniline
CID 67523901
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
2-methyl-N-[[2-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 63647549
5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 114090771
4-(4-methylsulfanylphenoxy)quinolin-8-amine
CID 83060179
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
2-methyl-6-(4-methylsulfanylphenoxy)pyridine
CID 123742413

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)pyridin-4-amine?
The IUPAC name of 2-(4-methylsulfanylphenoxy)pyridin-4-amine (CID 63649308) is 2-(4-methylsulfanylphenoxy)pyridin-4-amine.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)pyridin-4-amine?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)pyridin-4-amine is CSc1ccc(Oc2cc(N)ccn2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)pyridin-4-amine?
The InChIKey is FUWBGWCQSGRZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-16-11-4-2-10(3-5-11)15-12-8-9(13)6-7-14-12/h2-8H,1H3,(H2,13,14).
What are the key properties of 2-(4-methylsulfanylphenoxy)pyridin-4-amine?
2-(4-methylsulfanylphenoxy)pyridin-4-amine has a molecular weight of 232.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)pyridin-4-amine is sourced from PubChem (CID 63649308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).