2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine

C13H12F2N2S — CID 79260165

IUPAC2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(CSc2cc(F)ccc2F)c1
InChIInChI=1S/C13H12F2N2S/c1-16-10-4-5-17-11(7-10)8-18-13-6-9(14)2-3-12(13)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyJJVUAXLVBHREHT-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.69
Rot. Bonds4

About 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine

2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine (PubChem CID 79260165) has the molecular formula C13H12F2N2S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine
PubChem CID79260165
Molecular FormulaC13H12F2N2S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine
SMILESCNc1ccnc(CSc2cc(F)ccc2F)c1
InChIInChI=1S/C13H12F2N2S/c1-16-10-4-5-17-11(7-10)8-18-13-6-9(14)2-3-12(13)15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyJJVUAXLVBHREHT-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine (CID 79260165) is 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine is CNc1ccnc(CSc2cc(F)ccc2F)c1.
What is the InChIKey of 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
The InChIKey is JJVUAXLVBHREHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2S/c1-16-10-4-5-17-11(7-10)8-18-13-6-9(14)2-3-12(13)15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine?
2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine has a molecular weight of 266.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 79260165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).