2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine

C13H16N2S — CID 43118643

IUPAC2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
SMILESNC(Cc1nc2ccccc2s1)C1CCC1
InChIInChI=1S/C13H16N2S/c14-10(9-4-3-5-9)8-13-15-11-6-1-2-7-12(11)16-13/h1-2,6-7,9-10H,3-5,8,14H2
InChIKeyOFQWGTFMONRGSP-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.97
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine

2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine (PubChem CID 43118643) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
PubChem CID43118643
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
SMILESNC(Cc1nc2ccccc2s1)C1CCC1
InChIInChI=1S/C13H16N2S/c14-10(9-4-3-5-9)8-13-15-11-6-1-2-7-12(11)16-13/h1-2,6-7,9-10H,3-5,8,14H2
InChIKeyOFQWGTFMONRGSP-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(1,1-dioxothian-2-yl)ethanamine
CID 104520109
2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
CID 63352973
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107186155
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
2-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)ethanamine
CID 43118698
1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450120
1,3-benzothiazol-2-ylmethyl cyclobutanecarboxylate
CID 78760113
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(2-chloro-4-cyclopentylbutyl)-1,3-benzothiazole
CID 66460945
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine (CID 43118643) is 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine is NC(Cc1nc2ccccc2s1)C1CCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine?
The InChIKey is OFQWGTFMONRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c14-10(9-4-3-5-9)8-13-15-11-6-1-2-7-12(11)16-13/h1-2,6-7,9-10H,3-5,8,14H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine?
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine is sourced from PubChem (CID 43118643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).