[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine

C14H18N2S — CID 117368834

IUPAC[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
SMILESNCC1(c2cccc3cnsc23)CCCCC1
InChIInChI=1S/C14H18N2S/c15-10-14(7-2-1-3-8-14)12-6-4-5-11-9-16-17-13(11)12/h4-6,9H,1-3,7-8,10,15H2
InChIKeyXWPUMHWXWGAYFK-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.46
Rot. Bonds2

About [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine

[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine (PubChem CID 117368834) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
PubChem CID117368834
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine
SMILESNCC1(c2cccc3cnsc23)CCCCC1
InChIInChI=1S/C14H18N2S/c15-10-14(7-2-1-3-8-14)12-6-4-5-11-9-16-17-13(11)12/h4-6,9H,1-3,7-8,10,15H2
InChIKeyXWPUMHWXWGAYFK-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1H-indol-7-yl)cyclohexyl]methanamine
CID 96801849
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
1-(1,2-benzothiazol-7-ylmethyl)cyclopropan-1-amine
CID 117292875
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(6-chloro-2-pyridinyl)cyclohexyl]methanamine
CID 96888639
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(7-methylnaphthalen-1-yl)cyclobutyl]methanamine
CID 105483290
1-[2-(1,2-benzothiazol-7-yl)ethyl]cyclopropan-1-amine
CID 105473191
4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
CID 117365497

Frequently Asked Questions

What is the IUPAC name of [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine (CID 117368834) is [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine is NCC1(c2cccc3cnsc23)CCCCC1.
What is the InChIKey of [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine?
The InChIKey is XWPUMHWXWGAYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c15-10-14(7-2-1-3-8-14)12-6-4-5-11-9-16-17-13(11)12/h4-6,9H,1-3,7-8,10,15H2.
What are the key properties of [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine?
[1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,2-benzothiazol-7-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117368834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).