3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine

C14H14Cl2N2S — CID 102761495

IUPAC3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-9-5-3-4-6-10(9)8-19-14-12(16)7-11(15)13(17-2)18-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyORZPHZIHAXEVQE-UHFFFAOYSA-N
MW313.25 g/mol
LogP5.03
Rot. Bonds4

About 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine

3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 102761495) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID102761495
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c1-9-5-3-4-6-10(9)8-19-14-12(16)7-11(15)13(17-2)18-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyORZPHZIHAXEVQE-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-methyl-6-[(2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine (CID 102761495) is 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine is CNc1nc(SCc2ccccc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is ORZPHZIHAXEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-9-5-3-4-6-10(9)8-19-14-12(16)7-11(15)13(17-2)18-14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 102761495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).