(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine

C13H15FN2OS — CID 134395697

IUPAC(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
SMILESCO[C@H](c1ccc(-c2cncs2)cc1)[C@H](N)CF
InChIInChI=1S/C13H15FN2OS/c1-17-13(11(15)6-14)10-4-2-9(3-5-10)12-7-16-8-18-12/h2-5,7-8,11,13H,6,15H2,1H3/t11-,13-/m1/s1
InChIKeyQDFUTELCWZNZGE-DGCLKSJQSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

About (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine

(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine (PubChem CID 134395697) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
PubChem CID134395697
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
SMILESCO[C@H](c1ccc(-c2cncs2)cc1)[C@H](N)CF
InChIInChI=1S/C13H15FN2OS/c1-17-13(11(15)6-14)10-4-2-9(3-5-10)12-7-16-8-18-12/h2-5,7-8,11,13H,6,15H2,1H3/t11-,13-/m1/s1
InChIKeyQDFUTELCWZNZGE-DGCLKSJQSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
The IUPAC name of (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine (CID 134395697) is (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine.
What is the SMILES notation for (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
The canonical SMILES for (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine is CO[C@H](c1ccc(-c2cncs2)cc1)[C@H](N)CF.
What is the InChIKey of (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
The InChIKey is QDFUTELCWZNZGE-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-17-13(11(15)6-14)10-4-2-9(3-5-10)12-7-16-8-18-12/h2-5,7-8,11,13H,6,15H2,1H3/t11-,13-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine is sourced from PubChem (CID 134395697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).