(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine

C15H19FN2OS — CID 78935756

IUPAC(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2cc(F)ccc2[C@H](C)N)cs1
InChIInChI=1S/C15H19FN2OS/c1-3-4-15-18-12(9-20-15)8-19-14-7-11(16)5-6-13(14)10(2)17/h5-7,9-10H,3-4,8,17H2,1-2H3/t10-/m0/s1
InChIKeyFOGQXNQGRUFBPW-JTQLQIEISA-N
MW294.39 g/mol
LogP3.83
Rot. Bonds6

About (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 78935756) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID78935756
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCCc1nc(COc2cc(F)ccc2[C@H](C)N)cs1
InChIInChI=1S/C15H19FN2OS/c1-3-4-15-18-12(9-20-15)8-19-14-7-11(16)5-6-13(14)10(2)17/h5-7,9-10H,3-4,8,17H2,1-2H3/t10-/m0/s1
InChIKeyFOGQXNQGRUFBPW-JTQLQIEISA-N
XLogP3.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63649933
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
(1S)-1-[4-fluoro-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78936141
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107716311
1-[4-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 63066366
[6-methyl-3-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79150632
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (CID 78935756) is (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is CCCc1nc(COc2cc(F)ccc2[C@H](C)N)cs1.
What is the InChIKey of (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is FOGQXNQGRUFBPW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-3-4-15-18-12(9-20-15)8-19-14-7-11(16)5-6-13(14)10(2)17/h5-7,9-10H,3-4,8,17H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 294.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).