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

C15H19FN2OS — CID 107700884

IUPAC1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCCc1nc(COc2ccc(F)cc2CC(C)N)cs1
InChIInChI=1S/C15H19FN2OS/c1-3-15-18-13(9-20-15)8-19-14-5-4-12(16)7-11(14)6-10(2)17/h4-5,7,9-10H,3,6,8,17H2,1-2H3
InChIKeyRSDRZYPADNIYQS-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.31
Rot. Bonds6

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

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine (PubChem CID 107700884) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
PubChem CID107700884
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCCc1nc(COc2ccc(F)cc2CC(C)N)cs1
InChIInChI=1S/C15H19FN2OS/c1-3-15-18-13(9-20-15)8-19-14-5-4-12(16)7-11(14)6-10(2)17/h4-5,7,9-10H,3,6,8,17H2,1-2H3
InChIKeyRSDRZYPADNIYQS-UHFFFAOYSA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]butan-2-amine
CID 107701409
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 112726596
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
(1S)-1-[4-fluoro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 78935756
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 61484586
(1S)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanol
CID 78931623
N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61484700
1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine (CID 107700884) is 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine is CCc1nc(COc2ccc(F)cc2CC(C)N)cs1.
What is the InChIKey of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine?
The InChIKey is RSDRZYPADNIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-3-15-18-13(9-20-15)8-19-14-5-4-12(16)7-11(14)6-10(2)17/h4-5,7,9-10H,3,6,8,17H2,1-2H3.
What are the key properties of 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine?
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine has a molecular weight of 294.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107700884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).