1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine

C13H16FN3S — CID 55015222

IUPAC1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-9(15)12(10-3-5-11(14)6-4-10)18-13-16-7-8-17(13)2/h3-9,12H,15H2,1-2H3
InChIKeyNOBMOIAHFOJEGS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.74
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine

1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine (PubChem CID 55015222) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
PubChem CID55015222
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-9(15)12(10-3-5-11(14)6-4-10)18-13-16-7-8-17(13)2/h3-9,12H,15H2,1-2H3
InChIKeyNOBMOIAHFOJEGS-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55018556
1-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 55015176
1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
CID 55014840
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-amine
CID 64620589
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
4-fluoro-2-(1-methylimidazol-2-yl)sulfanylaniline
CID 62377498
1-(4-fluorophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55015226
1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 55015420
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105192712
1-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 43412464
3-(2-amino-1-pyridin-4-ylpropyl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898443

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine (CID 55015222) is 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine is CC(N)C(Sc1nccn1C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The InChIKey is NOBMOIAHFOJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9(15)12(10-3-5-11(14)6-4-10)18-13-16-7-8-17(13)2/h3-9,12H,15H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 55015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).