5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C15H16Cl2N2S — CID 63486396

IUPAC5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16Cl2N2S/c1-2-9-18-15-8-7-13(17)14(19-15)10-20-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyOQPIRKCERSFLAH-UHFFFAOYSA-N
MW327.28 g/mol
LogP5.50
Rot. Bonds6

About 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 63486396) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID63486396
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC Name5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16Cl2N2S/c1-2-9-18-15-8-7-13(17)14(19-15)10-20-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyOQPIRKCERSFLAH-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.28
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
3,6-dichloro-2-[(4-chlorophenyl)sulfanylmethyl]pyridine
CID 63536871
5-chloro-6-[(3-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 63487103
5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55127556
5-chloro-N-ethyl-6-[(4-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62886006
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63486764
5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55262087
[5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62887040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 63486396) is 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is OQPIRKCERSFLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c1-2-9-18-15-8-7-13(17)14(19-15)10-20-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 327.28 g/mol, XLogP of 5.50, 6 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)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63486396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).