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

C15H16ClFN2S — CID 63485873

IUPAC5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C15H16ClFN2S/c1-2-9-18-15-8-7-13(16)14(19-15)10-20-12-5-3-11(17)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyNXDHEATVJZEUOO-UHFFFAOYSA-N
MW310.82 g/mol
LogP4.99
Rot. Bonds6

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

5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 63485873) has the molecular formula C15H16ClFN2S and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID63485873
Molecular FormulaC15H16ClFN2S
Molecular Weight310.82 g/mol
Exact Mass310.07
IUPAC Name5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSc2ccc(F)cc2)n1
InChIInChI=1S/C15H16ClFN2S/c1-2-9-18-15-8-7-13(16)14(19-15)10-20-12-5-3-11(17)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyNXDHEATVJZEUOO-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 54.99
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-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 63485873) is 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSc2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is NXDHEATVJZEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c1-2-9-18-15-8-7-13(16)14(19-15)10-20-12-5-3-11(17)4-6-12/h3-8H,2,9-10H2,1H3,(H,18,19).
What are the key properties of 5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 310.82 g/mol, XLogP of 4.99, 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-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63485873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).