2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine

C13H18N2OS — CID 82190296

IUPAC2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
SMILESCCCCc1nc2c(OCCN)cccc2s1
InChIInChI=1S/C13H18N2OS/c1-2-3-7-12-15-13-10(16-9-8-14)5-4-6-11(13)17-12/h4-6H,2-3,7-9,14H2,1H3
InChIKeyDCIHCFKQGWQMFM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.98
Rot. Bonds6

About 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine

2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine (PubChem CID 82190296) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
PubChem CID82190296
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
SMILESCCCCc1nc2c(OCCN)cccc2s1
InChIInChI=1S/C13H18N2OS/c1-2-3-7-12-15-13-10(16-9-8-14)5-4-6-11(13)17-12/h4-6H,2-3,7-9,14H2,1H3
InChIKeyDCIHCFKQGWQMFM-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190222
4-[[2-(2,2-dimethylpropyl)-1,3-benzothiazol-4-yl]oxy]butan-1-amine
CID 82190317
2-pentyl-1,3-benzothiazol-4-amine
CID 69228766
3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
2,4-didecyl-1,3-benzothiazole;thiohydroxylamine
CID 175215426
(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
CID 154476426
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190245
2-(3-chloropropyl)-4-methyl-1,3-benzothiazole
CID 79147271
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The IUPAC name of 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine (CID 82190296) is 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The canonical SMILES for 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine is CCCCc1nc2c(OCCN)cccc2s1.
What is the InChIKey of 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
The InChIKey is DCIHCFKQGWQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-3-7-12-15-13-10(16-9-8-14)5-4-6-11(13)17-12/h4-6H,2-3,7-9,14H2,1H3.
What are the key properties of 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine?
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine is sourced from PubChem (CID 82190296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).