N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine

C16H22N2S — CID 64724022

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2nc3ccccc3s2)C1
InChIInChI=1S/C16H22N2S/c1-11-7-12(2)9-13(8-11)17-10-16-18-14-5-3-4-6-15(14)19-16/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyLFFDRGLGAHKNDV-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.21
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine

N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 64724022) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
PubChem CID64724022
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2nc3ccccc3s2)C1
InChIInChI=1S/C16H22N2S/c1-11-7-12(2)9-13(8-11)17-10-16-18-14-5-3-4-6-15(14)19-16/h3-6,11-13,17H,7-10H2,1-2H3
InChIKeyLFFDRGLGAHKNDV-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-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

N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-(1,3-benzothiazol-2-ylmethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 43080809
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64656359
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
(3S,7S,8aS)-7-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461516
N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 61309719
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine (CID 64724022) is N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NCc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is LFFDRGLGAHKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11-7-12(2)9-13(8-11)17-10-16-18-14-5-3-4-6-15(14)19-16/h3-6,11-13,17H,7-10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine?
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).