1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine

C15H20N2OS — CID 66356595

IUPAC1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine
SMILESNC1(COc2snc3ccccc23)CCCCCC1
InChIInChI=1S/C15H20N2OS/c16-15(9-5-1-2-6-10-15)11-18-14-12-7-3-4-8-13(12)17-19-14/h3-4,7-8H,1-2,5-6,9-11,16H2
InChIKeyMBKJCDYNXCTHBC-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.73
Rot. Bonds3

About 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine

1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine (PubChem CID 66356595) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine
PubChem CID66356595
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine
SMILESNC1(COc2snc3ccccc23)CCCCCC1
InChIInChI=1S/C15H20N2OS/c16-15(9-5-1-2-6-10-15)11-18-14-12-7-3-4-8-13(12)17-19-14/h3-4,7-8H,1-2,5-6,9-11,16H2
InChIKeyMBKJCDYNXCTHBC-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cinnolin-4-yloxymethyl)cyclopentan-1-amine
CID 64572684
1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine
CID 64549371
1-(quinazolin-2-yloxymethyl)cyclopentan-1-amine
CID 114789733
1-[(2-methoxyphenoxy)methyl]cyclohexan-1-amine
CID 84698885
1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cycloheptan-1-amine
CID 65273524
3-(2-piperidin-2-ylethoxy)-2,1-benzothiazole
CID 66355743
2-[(1-aminocyclopentyl)methoxy]phenol
CID 84675228
1-[(2,6-dimethylphenoxy)methyl]cyclopentan-1-amine
CID 10777425
1-[(2-methylquinolin-4-yl)methoxymethyl]cyclopentan-1-amine
CID 79235274
1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]oxymethyl]cycloheptan-1-amine
CID 107305916
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclohexan-1-amine
CID 65280079
[4-(2,1-benzothiazol-3-yloxy)phenyl]methanamine
CID 66356165

Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine (CID 66356595) is 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine is NC1(COc2snc3ccccc23)CCCCCC1.
What is the InChIKey of 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine?
The InChIKey is MBKJCDYNXCTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-15(9-5-1-2-6-10-15)11-18-14-12-7-3-4-8-13(12)17-19-14/h3-4,7-8H,1-2,5-6,9-11,16H2.
What are the key properties of 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine?
1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzothiazol-3-yloxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 66356595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).