1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine

C12H16N2S — CID 63201773

IUPAC1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1nc2ccccc2s1)NC
InChIInChI=1S/C12H16N2S/c1-3-9(13-2)8-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyJEQVSUZVEKQIJX-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.84
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine

1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine (PubChem CID 63201773) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
PubChem CID63201773
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1nc2ccccc2s1)NC
InChIInChI=1S/C12H16N2S/c1-3-9(13-2)8-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyJEQVSUZVEKQIJX-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzothiazol-2-yl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79819432
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
1-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105169666
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
2-(1,3-benzothiazol-2-yl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 79819181
[1-(1,3-benzothiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325137
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(2-chloropentyl)-1,3-benzothiazole
CID 63203228
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-amine
CID 105016121
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine (CID 63201773) is 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine is CCC(Cc1nc2ccccc2s1)NC.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine?
The InChIKey is JEQVSUZVEKQIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-9(13-2)8-12-14-10-6-4-5-7-11(10)15-12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine?
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 63201773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).