(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine

C13H15FN2OS — CID 106923201

IUPAC(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCc1coc(Sc2cc(C)c(F)cc2[C@H](C)N)n1
InChIInChI=1S/C13H15FN2OS/c1-7-4-12(10(9(3)15)5-11(7)14)18-13-16-8(2)6-17-13/h4-6,9H,15H2,1-3H3/t9-/m0/s1
InChIKeyDAJRLVVFDXYZJS-VIFPVBQESA-N
MW266.34 g/mol
LogP3.60
Rot. Bonds3

About (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine

(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine (PubChem CID 106923201) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
PubChem CID106923201
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
SMILESCc1coc(Sc2cc(C)c(F)cc2[C@H](C)N)n1
InChIInChI=1S/C13H15FN2OS/c1-7-4-12(10(9(3)15)5-11(7)14)18-13-16-8(2)6-17-13/h4-6,9H,15H2,1-3H3/t9-/m0/s1
InChIKeyDAJRLVVFDXYZJS-VIFPVBQESA-N
XLogP3.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine with MolForge

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Related Compounds

4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921569
1-[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)-4-methylphenyl]ethanamine
CID 114000787
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
(1S)-1-[5-fluoro-4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431756
1-[5-fluoro-4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431741
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926965
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
CID 106922073
(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol
CID 102926203
1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
CID 117285815

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine (CID 106923201) is (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine is Cc1coc(Sc2cc(C)c(F)cc2[C@H](C)N)n1.
What is the InChIKey of (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine?
The InChIKey is DAJRLVVFDXYZJS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-7-4-12(10(9(3)15)5-11(7)14)18-13-16-8(2)6-17-13/h4-6,9H,15H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine?
(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine is sourced from PubChem (CID 106923201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).