5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine

C13H14N2OS — CID 43302210

IUPAC5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
SMILESCOc1cccc(CSc2ccc(N)nc2)c1
InChIInChI=1S/C13H14N2OS/c1-16-11-4-2-3-10(7-11)9-17-12-5-6-13(14)15-8-12/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyNYYJTDAPVFBXOY-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.96
Rot. Bonds4

About 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine

5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 43302210) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID43302210
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
SMILESCOc1cccc(CSc2ccc(N)nc2)c1
InChIInChI=1S/C13H14N2OS/c1-16-11-4-2-3-10(7-11)9-17-12-5-6-13(14)15-8-12/h2-8H,9H2,1H3,(H2,14,15)
InChIKeyNYYJTDAPVFBXOY-UHFFFAOYSA-N
XLogP2.96
TPSA48.14 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301902
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63883446
4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135463640
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
1-methoxy-3-[[(4-methylphenyl)disulfanyl]methyl]benzene
CID 163750182
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301933
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1451575
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
2-chloro-5-[(3-methoxyphenyl)sulfanylmethyl]aniline
CID 43350014
2-chloro-4-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 62046322

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine (CID 43302210) is 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine is COc1cccc(CSc2ccc(N)nc2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is NYYJTDAPVFBXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-4-2-3-10(7-11)9-17-12-5-6-13(14)15-8-12/h2-8H,9H2,1H3,(H2,14,15).
What are the key properties of 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43302210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).