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

C13H16FN3S — CID 55018556

IUPAC1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1nccn1C)c1ccccc1F
InChIInChI=1S/C13H16FN3S/c1-9(15)12(10-5-3-4-6-11(10)14)18-13-16-7-8-17(13)2/h3-9,12H,15H2,1-2H3
InChIKeyZJKWTRXRBNVPHO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.74
Rot. Bonds4

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

1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine (PubChem CID 55018556) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
PubChem CID55018556
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
SMILESCC(N)C(Sc1nccn1C)c1ccccc1F
InChIInChI=1S/C13H16FN3S/c1-9(15)12(10-5-3-4-6-11(10)14)18-13-16-7-8-17(13)2/h3-9,12H,15H2,1-2H3
InChIKeyZJKWTRXRBNVPHO-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine (CID 55018556) is 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine is CC(N)C(Sc1nccn1C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The InChIKey is ZJKWTRXRBNVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9(15)12(10-5-3-4-6-11(10)14)18-13-16-7-8-17(13)2/h3-9,12H,15H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
1-(2-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-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 55018556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).