3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine

C15H21FN2S — CID 79148771

IUPAC3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H21FN2S/c1-2-3-11(8-9-17)4-7-15-18-13-6-5-12(16)10-14(13)19-15/h5-6,10-11H,2-4,7-9,17H2,1H3
InChIKeyCPUATWLGXCETLG-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.13
Rot. Bonds7

About 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine

3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine (PubChem CID 79148771) has the molecular formula C15H21FN2S and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine
PubChem CID79148771
Molecular FormulaC15H21FN2S
Molecular Weight280.41 g/mol
Exact Mass280.14
IUPAC Name3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine
SMILESCCCC(CCN)CCc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H21FN2S/c1-2-3-11(8-9-17)4-7-15-18-13-6-5-12(16)10-14(13)19-15/h5-6,10-11H,2-4,7-9,17H2,1H3
InChIKeyCPUATWLGXCETLG-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106695
4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine
CID 82688216
3-methyl-5-(6-methyl-1,3-benzothiazol-2-yl)pentan-1-amine
CID 79142621
3-[2-(6-bromo-1,3-benzothiazol-2-yl)ethyl]-4-methylpentan-1-amine
CID 79534202
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
(2-octyl-1,3-benzothiazol-6-yl)methanamine
CID 143097455
2-[(4-chlorophenyl)methyl]-6-fluoro-1,3-benzothiazole
CID 50850071
N-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine
CID 79148219
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
2-[2-[4-(4-butylcyclohexyl)-2-fluorophenyl]ethyl]-6-fluoro-1,3-benzothiazole
CID 67808886

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine?
The IUPAC name of 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine (CID 79148771) is 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine is CCCC(CCN)CCc1nc2ccc(F)cc2s1.
What is the InChIKey of 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine?
The InChIKey is CPUATWLGXCETLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2S/c1-2-3-11(8-9-17)4-7-15-18-13-6-5-12(16)10-14(13)19-15/h5-6,10-11H,2-4,7-9,17H2,1H3.
What are the key properties of 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine?
3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 79148771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).