2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C14H22N2S — CID 64975497

IUPAC2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1CCC(c2nc3c(s2)CCCC3N)CC1
InChIInChI=1S/C14H22N2S/c1-9-5-7-10(8-6-9)14-16-13-11(15)3-2-4-12(13)17-14/h9-11H,2-8,15H2,1H3
InChIKeyQIHDZBGNFLMRHT-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.77
Rot. Bonds1

About 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975497) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975497
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1CCC(c2nc3c(s2)CCCC3N)CC1
InChIInChI=1S/C14H22N2S/c1-9-5-7-10(8-6-9)14-16-13-11(15)3-2-4-12(13)17-14/h9-11H,2-8,15H2,1H3
InChIKeyQIHDZBGNFLMRHT-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-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-cyclobutyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984478
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80610124
2-(2-methylcyclopropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65420210
2-cyclopentyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975636
2-(propylsulfanylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65128825
2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977637
2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976032
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-N-methyl-2-N-pentan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64977284
2-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116502767
2-(3,4-dimethoxypyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103540256

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975497) is 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CC1CCC(c2nc3c(s2)CCCC3N)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is QIHDZBGNFLMRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9-5-7-10(8-6-9)14-16-13-11(15)3-2-4-12(13)17-14/h9-11H,2-8,15H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 250.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).