5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine

C13H14FN3S — CID 143516885

IUPAC5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CSc2ccc(F)cc2N)cn1
InChIInChI=1S/C13H14FN3S/c1-16-13-5-2-9(7-17-13)8-18-12-4-3-10(14)6-11(12)15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyJLUAZHAAPWNSKT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds4

About 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine

5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 143516885) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID143516885
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(CSc2ccc(F)cc2N)cn1
InChIInChI=1S/C13H14FN3S/c1-16-13-5-2-9(7-17-13)8-18-12-4-3-10(14)6-11(12)15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyJLUAZHAAPWNSKT-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
5-[[5-amino-2-(methylideneamino)phenyl]sulfanylmethyl]-N-methylpyridin-2-amine
CID 143516892
5-fluoro-2-(pyridin-4-ylmethylsulfanyl)aniline
CID 43304430
5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
2-[(4-fluorophenyl)methylsulfanyl]-5-methylaniline
CID 43302719
5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 112655209
5-fluoro-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]aniline
CID 43303950
5-fluoro-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346132
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
CID 103059921
N-methyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62188235
5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]aniline
CID 43304322
[5-[(2-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62250828

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine (CID 143516885) is 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine is CNc1ccc(CSc2ccc(F)cc2N)cn1.
What is the InChIKey of 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is JLUAZHAAPWNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-16-13-5-2-9(7-17-13)8-18-12-4-3-10(14)6-11(12)15/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 143516885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).