4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline

C16H15FN2OS — CID 75238702

IUPAC4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(OCCF)cc3s2)cc1
InChIInChI=1S/C16H15FN2OS/c1-18-12-4-2-11(3-5-12)16-19-14-7-6-13(20-9-8-17)10-15(14)21-16/h2-7,10,18H,8-9H2,1H3
InChIKeyQINAGIHKLFNTRJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.35
Rot. Bonds5

About 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline

4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline (PubChem CID 75238702) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline
PubChem CID75238702
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(OCCF)cc3s2)cc1
InChIInChI=1S/C16H15FN2OS/c1-18-12-4-2-11(3-5-12)16-19-14-7-6-13(20-9-8-17)10-15(14)21-16/h2-7,10,18H,8-9H2,1H3
InChIKeyQINAGIHKLFNTRJ-UHFFFAOYSA-N
XLogP4.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethanol
CID 68933643
1-(18F)fluoro-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 52933240
(2S)-1-fluoro-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
CID 122413432
ethane;3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propoxy thiohypoiodite
CID 144970959
(2S)-3-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propane-1,2-diol
CID 122413466
3-fluoro-2-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 25145561
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
2-[[2-(4-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
CID 82190051
4-[6-[2-[2-(aminomethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylaniline
CID 172537261
4-[6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylaniline
CID 172537270
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
3-[(2-phenyl-1,3-benzothiazol-6-yl)oxy]propanoic acid
CID 82189994

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline?
The IUPAC name of 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline (CID 75238702) is 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline?
The canonical SMILES for 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline is CNc1ccc(-c2nc3ccc(OCCF)cc3s2)cc1.
What is the InChIKey of 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline?
The InChIKey is QINAGIHKLFNTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-18-12-4-2-11(3-5-12)16-19-14-7-6-13(20-9-8-17)10-15(14)21-16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline?
4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline has a molecular weight of 302.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline is sourced from PubChem (CID 75238702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).