5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine

C14H14Cl2N2S — CID 114791870

IUPAC5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CSCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14Cl2N2S/c1-17-14-7-6-12(16)13(18-14)9-19-8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyNASBAEQFBIKZEA-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.86
Rot. Bonds5

About 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine

5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 114791870) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID114791870
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(CSCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14Cl2N2S/c1-17-14-7-6-12(16)13(18-14)9-19-8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyNASBAEQFBIKZEA-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine (CID 114791870) is 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(CSCc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is NASBAEQFBIKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-17-14-7-6-12(16)13(18-14)9-19-8-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine?
5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 114791870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).