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

C13H15FN2OS — CID 142457119

IUPAC3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
SMILESCOC(c1ccc(-c2cncs2)cc1)C(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
InChIKeyQDFUTELCWZNZGE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

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

3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine (PubChem CID 142457119) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
PubChem CID142457119
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
SMILESCOC(c1ccc(-c2cncs2)cc1)C(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
InChIKeyQDFUTELCWZNZGE-UHFFFAOYSA-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 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
The IUPAC name of 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine (CID 142457119) is 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine.
What is the SMILES notation for 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
The canonical SMILES for 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine is COC(c1ccc(-c2cncs2)cc1)C(N)CF.
What is the InChIKey of 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
The InChIKey is QDFUTELCWZNZGE-UHFFFAOYSA-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.
What are the key properties of 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine?
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 3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine is sourced from PubChem (CID 142457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).