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

C15H16Cl2N2S — CID 102761494

IUPAC3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2S/c1-3-18-14-12(16)8-13(17)15(19-14)20-9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyFWPKAEPJAXYBPS-UHFFFAOYSA-N
MW327.28 g/mol
LogP5.42
Rot. Bonds5

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

3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 102761494) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID102761494
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC Name3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
SMILESCCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2S/c1-3-18-14-12(16)8-13(17)15(19-14)20-9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyFWPKAEPJAXYBPS-UHFFFAOYSA-N
XLogP5.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 102761495
3,5-dichloro-6-(3,4-dimethylphenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761248
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-(2,4-difluorophenyl)sulfanyl-N-ethylpyridin-2-amine
CID 102761292
3,5-dichloro-N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761451
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine (CID 102761494) is 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine is CCNc1nc(SCc2ccccc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is FWPKAEPJAXYBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c1-3-18-14-12(16)8-13(17)15(19-14)20-9-11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine?
3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 327.28 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 102761494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).