2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline

C11H11FN2S — CID 96824348

IUPAC2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESC[C@H](Nc1ccccc1F)c1nccs1
InChIInChI=1S/C11H11FN2S/c1-8(11-13-6-7-15-11)14-10-5-3-2-4-9(10)12/h2-8,14H,1H3/t8-/m0/s1
InChIKeySBPUISYCPPEOHL-QMMMGPOBSA-N
MW222.29 g/mol
LogP3.46
Rot. Bonds3

About 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline

2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 96824348) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID96824348
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESC[C@H](Nc1ccccc1F)c1nccs1
InChIInChI=1S/C11H11FN2S/c1-8(11-13-6-7-15-11)14-10-5-3-2-4-9(10)12/h2-8,14H,1H3/t8-/m0/s1
InChIKeySBPUISYCPPEOHL-QMMMGPOBSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
2-bromo-4-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993154
methyl 4-fluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993515
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 113348121
5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 103271867
2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64992944
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
N-[1-(1,3-thiazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 64993427
2-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
CID 112689948

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline (CID 96824348) is 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline is C[C@H](Nc1ccccc1F)c1nccs1.
What is the InChIKey of 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is SBPUISYCPPEOHL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8(11-13-6-7-15-11)14-10-5-3-2-4-9(10)12/h2-8,14H,1H3/t8-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline?
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 222.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 96824348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).