4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine

C15H22N2OS — CID 82190245

IUPAC4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
SMILESCCC(C)c1nc2c(OCCCCN)cccc2s1
InChIInChI=1S/C15H22N2OS/c1-3-11(2)15-17-14-12(18-10-5-4-9-16)7-6-8-13(14)19-15/h6-8,11H,3-5,9-10,16H2,1-2H3
InChIKeyFJSLSEMWXOLQPD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.93
Rot. Bonds7

About 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine

4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine (PubChem CID 82190245) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
PubChem CID82190245
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
SMILESCCC(C)c1nc2c(OCCCCN)cccc2s1
InChIInChI=1S/C15H22N2OS/c1-3-11(2)15-17-14-12(18-10-5-4-9-16)7-6-8-13(14)19-15/h6-8,11H,3-5,9-10,16H2,1-2H3
InChIKeyFJSLSEMWXOLQPD-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine with MolForge

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Related Compounds

3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
4-[[2-(2,2-dimethylpropyl)-1,3-benzothiazol-4-yl]oxy]butan-1-amine
CID 82190317
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
2-[(2-propyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190222
(4-decoxy-1,3-benzothiazol-2-yl)hydrazine
CID 154476426
2-propan-2-yl-1,3-benzothiazol-4-amine
CID 83818222
2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]butanoic acid
CID 82190179
4-hexoxy-1,3-benzothiazole
CID 54068927
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propanoic acid
CID 82190178
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine?
The IUPAC name of 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine (CID 82190245) is 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine.
What is the SMILES notation for 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine?
The canonical SMILES for 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine is CCC(C)c1nc2c(OCCCCN)cccc2s1.
What is the InChIKey of 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine?
The InChIKey is FJSLSEMWXOLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-3-11(2)15-17-14-12(18-10-5-4-9-16)7-6-8-13(14)19-15/h6-8,11H,3-5,9-10,16H2,1-2H3.
What are the key properties of 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine?
4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine is sourced from PubChem (CID 82190245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).