4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline

C16H15FN2S — CID 80556024

IUPAC4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C16H15FN2S/c1-16(2,10-3-6-12(18)7-4-10)15-19-13-8-5-11(17)9-14(13)20-15/h3-9H,18H2,1-2H3
InChIKeyYALSJIDVLISNCJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.34
Rot. Bonds2

About 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline

4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline (PubChem CID 80556024) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
PubChem CID80556024
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
SMILESCC(C)(c1ccc(N)cc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C16H15FN2S/c1-16(2,10-3-6-12(18)7-4-10)15-19-13-8-5-11(17)9-14(13)20-15/h3-9H,18H2,1-2H3
InChIKeyYALSJIDVLISNCJ-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(6-chloro-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 80555793
2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 84633257
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
4-[2-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-yl]aniline
CID 80549626
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
2-(trifluoromethyl)-1,3-benzothiazol-5-amine
CID 45077489
3-(6-fluoro-1,3-benzothiazol-2-yl)pyrazin-2-amine
CID 79148122
2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-2,3-dimethylbutanoic acid
CID 79148014
4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]benzene-1,3-diamine
CID 102044948
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
4-bromo-2-(6-fluoro-1,3-benzothiazol-2-yl)aniline
CID 79148767
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline (CID 80556024) is 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline is CC(C)(c1ccc(N)cc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline?
The InChIKey is YALSJIDVLISNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-16(2,10-3-6-12(18)7-4-10)15-19-13-8-5-11(17)9-14(13)20-15/h3-9H,18H2,1-2H3.
What are the key properties of 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline?
4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline has a molecular weight of 286.38 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-1,3-benzothiazol-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 80556024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).