3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine

C13H22N2S — CID 82066939

IUPAC3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
SMILESCC1CCc2nc(CC(N)C(C)C)sc2C1
InChIInChI=1S/C13H22N2S/c1-8(2)10(14)7-13-15-11-5-4-9(3)6-12(11)16-13/h8-10H,4-7,14H2,1-3H3
InChIKeyWSOLEYVYNBMSPI-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.79
Rot. Bonds3

About 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine

3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine (PubChem CID 82066939) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
PubChem CID82066939
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
SMILESCC1CCc2nc(CC(N)C(C)C)sc2C1
InChIInChI=1S/C13H22N2S/c1-8(2)10(14)7-13-15-11-5-4-9(3)6-12(11)16-13/h8-10H,4-7,14H2,1-3H3
InChIKeyWSOLEYVYNBMSPI-UHFFFAOYSA-N
XLogP2.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-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

2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine
CID 115870421
3-amino-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 119689310
1-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butan-2-amine
CID 62646070
N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290
2-chloro-N-[1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
CID 146105757
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 115066893
2-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)ethanamine
CID 82066944
4-[[[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]oxane-4-carboxamide
CID 99696424
6-methyl-N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 130557486
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanesulfonamide
CID 22201662
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795
5-chloro-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 166321367

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine (CID 82066939) is 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine is CC1CCc2nc(CC(N)C(C)C)sc2C1.
What is the InChIKey of 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
The InChIKey is WSOLEYVYNBMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-8(2)10(14)7-13-15-11-5-4-9(3)6-12(11)16-13/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine?
3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine is sourced from PubChem (CID 82066939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).