1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine

C13H15FN2OS — CID 107693106

IUPAC1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2cscn2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c1-9(15)4-10-2-3-13(12(14)5-10)17-6-11-7-18-8-16-11/h2-3,5,7-9H,4,6,15H2,1H3
InChIKeyXZMAUXMVHXLJHK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.75
Rot. Bonds5

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

1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine (PubChem CID 107693106) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
PubChem CID107693106
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2cscn2)c(F)c1
InChIInChI=1S/C13H15FN2OS/c1-9(15)4-10-2-3-13(12(14)5-10)17-6-11-7-18-8-16-11/h2-3,5,7-9H,4,6,15H2,1H3
InChIKeyXZMAUXMVHXLJHK-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-[3-bromo-4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 55146768
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 107693014
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 107693169
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 62072333
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
CID 107693080

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine (CID 107693106) is 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2cscn2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is XZMAUXMVHXLJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-9(15)4-10-2-3-13(12(14)5-10)17-6-11-7-18-8-16-11/h2-3,5,7-9H,4,6,15H2,1H3.
What are the key properties of 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine?
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 107693106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).