3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine

C14H16FN3S — CID 66072309

IUPAC3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)CSc2cccc(F)c2)c1
InChIInChI=1S/C14H16FN3S/c1-9-5-12(14(17)18-7-9)13(16)8-19-11-4-2-3-10(15)6-11/h2-7,13H,8,16H2,1H3,(H2,17,18)
InChIKeyJDBQXYOVSGVCFZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.90
Rot. Bonds4

About 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine

3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine (PubChem CID 66072309) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
PubChem CID66072309
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
SMILESCc1cnc(N)c(C(N)CSc2cccc(F)c2)c1
InChIInChI=1S/C14H16FN3S/c1-9-5-12(14(17)18-7-9)13(16)8-19-11-4-2-3-10(15)6-11/h2-7,13H,8,16H2,1H3,(H2,17,18)
InChIKeyJDBQXYOVSGVCFZ-UHFFFAOYSA-N
XLogP2.90
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66064996

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine (CID 66072309) is 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine is Cc1cnc(N)c(C(N)CSc2cccc(F)c2)c1.
What is the InChIKey of 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine?
The InChIKey is JDBQXYOVSGVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-9-5-12(14(17)18-7-9)13(16)8-19-11-4-2-3-10(15)6-11/h2-7,13H,8,16H2,1H3,(H2,17,18).
What are the key properties of 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine?
3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 66072309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).