(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine

C11H11FN2OS — CID 106923117

IUPAC(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1Sc1ncco1
InChIInChI=1S/C11H11FN2OS/c1-7(13)10-8(12)3-2-4-9(10)16-11-14-5-6-15-11/h2-7H,13H2,1H3/t7-/m0/s1
InChIKeyBKTBOTOMBGSWFJ-ZETCQYMHSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds3

About (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine

(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine (PubChem CID 106923117) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
PubChem CID106923117
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1Sc1ncco1
InChIInChI=1S/C11H11FN2OS/c1-7(13)10-8(12)3-2-4-9(10)16-11-14-5-6-15-11/h2-7H,13H2,1H3/t7-/m0/s1
InChIKeyBKTBOTOMBGSWFJ-ZETCQYMHSA-N
XLogP2.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 106921301
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921322
3-Fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
4-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921375
4-(1,3-Oxazol-2-ylsulfanyl)-3-(trifluoromethyl)aniline
CID 106921387
3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411
2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921440
3,5-Difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
2-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921761

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine (CID 106923117) is (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine is C[C@H](N)c1c(F)cccc1Sc1ncco1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine?
The InChIKey is BKTBOTOMBGSWFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-7(13)10-8(12)3-2-4-9(10)16-11-14-5-6-15-11/h2-7H,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine?
(1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 106923117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).