1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine

C13H16N2S — CID 84696106

IUPAC1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2sc(C3CCC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-14-8-9-5-6-12-11(7-9)15-13(16-12)10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyIRYFEIOHHAVXSE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.28
Rot. Bonds3

About 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine

1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine (PubChem CID 84696106) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine
PubChem CID84696106
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine
SMILESCNCc1ccc2sc(C3CCC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-14-8-9-5-6-12-11(7-9)15-13(16-12)10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyIRYFEIOHHAVXSE-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
CID 162358300
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
3-(5-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 55148266
2-cyclohexyl-5-propan-2-yl-1,3-benzothiazole;2-(4-methylphenyl)-5-propan-2-yl-1,3-benzothiazole
CID 159641452
2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
CID 166963509
(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine
CID 117332982
1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
N-[2-(2-methyl-1,3-benzothiazol-5-yl)ethyl]cyclopentanamine
CID 82500700
5-nitro-2-piperidin-4-yl-1,3-benzothiazole
CID 142902771
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine (CID 84696106) is 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine is CNCc1ccc2sc(C3CCC3)nc2c1.
What is the InChIKey of 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine?
The InChIKey is IRYFEIOHHAVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-14-8-9-5-6-12-11(7-9)15-13(16-12)10-3-2-4-10/h5-7,10,14H,2-4,8H2,1H3.
What are the key properties of 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine?
1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 84696106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).