5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine

C14H14Cl2N2S — CID 63487103

IUPAC5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N2S/c1-2-17-14-7-6-12(16)13(18-14)9-19-11-5-3-4-10(15)8-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyITHFFSHVXQMIJI-UHFFFAOYSA-N
MW313.25 g/mol
LogP5.11
Rot. Bonds5

About 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine

5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine (PubChem CID 63487103) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
PubChem CID63487103
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cl)c(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N2S/c1-2-17-14-7-6-12(16)13(18-14)9-19-11-5-3-4-10(15)8-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyITHFFSHVXQMIJI-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.25
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
3-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-1,2,4-oxadiazol-5-amine
CID 66148538
5-chloro-N-ethyl-6-[(4-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62886006
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
5-chloro-N-ethyl-6-(1,3-oxazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 106925526
6-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-chloro-N-ethylpyridin-2-amine
CID 62886533
2-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 66147290
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidine
CID 66292997
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine (CID 63487103) is 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cl)c(CSc2cccc(Cl)c2)n1.
What is the InChIKey of 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The InChIKey is ITHFFSHVXQMIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c1-2-17-14-7-6-12(16)13(18-14)9-19-11-5-3-4-10(15)8-11/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 63487103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).