4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline

C16H15FN2S — CID 139235313

IUPAC4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline
SMILESCN(CCF)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15FN2S/c1-19(11-10-17)13-8-6-12(7-9-13)16-18-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3
InChIKeyISPZLLIXXYWIDD-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.37
Rot. Bonds4

About 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline

4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline (PubChem CID 139235313) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline
PubChem CID139235313
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline
SMILESCN(CCF)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H15FN2S/c1-19(11-10-17)13-8-6-12(7-9-13)16-18-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3
InChIKeyISPZLLIXXYWIDD-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)-N-methylanilino]ethanol
CID 68611652
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylnaphthalen-1-amine
CID 59465011
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 174247496
[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane
CID 59576597
4-(1,3-benzothiazol-2-yl)-N-ethylaniline
CID 83380375
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[4-(ethylsulfanylmethyl)phenyl]-1,3-benzothiazole
CID 14762301
N-[4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59707513

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline (CID 139235313) is 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline is CN(CCF)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline?
The InChIKey is ISPZLLIXXYWIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-19(11-10-17)13-8-6-12(7-9-13)16-18-14-4-2-3-5-15(14)20-16/h2-9H,10-11H2,1H3.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline?
4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline has a molecular weight of 286.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(2-fluoroethyl)-N-methylaniline is sourced from PubChem (CID 139235313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).