3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine

C14H18N2OS — CID 113435132

IUPAC3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCC(OCc2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2OS/c15-10-4-3-5-11(8-10)17-9-14-16-12-6-1-2-7-13(12)18-14/h1-2,6-7,10-11H,3-5,8-9,15H2
InChIKeyJSAWADOSFIZTPU-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.08
Rot. Bonds3

About 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine

3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine (PubChem CID 113435132) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine
PubChem CID113435132
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCC(OCc2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2OS/c15-10-4-3-5-11(8-10)17-9-14-16-12-6-1-2-7-13(12)18-14/h1-2,6-7,10-11H,3-5,8-9,15H2
InChIKeyJSAWADOSFIZTPU-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzothiazol-2-ylmethyl cyclobutanecarboxylate
CID 78760113
[2-(1,3-benzothiazol-2-ylmethoxymethyl)cyclopentyl]methanamine
CID 104631430
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
3-[(5-bromothiophen-2-yl)methoxy]cyclohexan-1-amine
CID 79465915
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
1,3-benzothiazol-2-ylmethyl 3-cyclohexylpropanoate
CID 2397721
3-(quinolin-2-ylmethoxy)cyclopentan-1-amine
CID 79465376
3-[(1-methylindazol-3-yl)methoxy]cyclohexan-1-amine
CID 79465491
2-[(3-chlorocycloheptyl)methyl]-1,3-benzothiazole
CID 79819037
2-[[1-methyl-2-(1'-methyl-2-phenylspiro[bicyclo[4.1.0]hepta-1,3,5-triene-7,2'-piperidine]-4'-yl)oxypiperidin-4-yl]oxymethyl]-1,3-benzothiazole
CID 141412861
3-[(4-chlorophenyl)methoxy]cyclohexan-1-amine
CID 79466104
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine (CID 113435132) is 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine is NC1CCCC(OCc2nc3ccccc3s2)C1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine?
The InChIKey is JSAWADOSFIZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-10-4-3-5-11(8-10)17-9-14-16-12-6-1-2-7-13(12)18-14/h1-2,6-7,10-11H,3-5,8-9,15H2.
What are the key properties of 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine?
3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 113435132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).