[1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine

C15H19BrN2S — CID 115442675

IUPAC[1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3cc(Br)ccc3s2)CC1
InChIInChI=1S/C15H19BrN2S/c1-10-4-6-15(9-17,7-5-10)14-18-12-8-11(16)2-3-13(12)19-14/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyULTPWJJDOZEXQM-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.47
Rot. Bonds2

About [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine

[1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine (PubChem CID 115442675) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine
PubChem CID115442675
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name[1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)(c2nc3cc(Br)ccc3s2)CC1
InChIInChI=1S/C15H19BrN2S/c1-10-4-6-15(9-17,7-5-10)14-18-12-8-11(16)2-3-13(12)19-14/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyULTPWJJDOZEXQM-UHFFFAOYSA-N
XLogP4.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-bromo-1,3-benzothiazol-2-yl)cyclopropyl]methanamine
CID 115450810
5-bromo-2-(4-ethylpiperidin-4-yl)-1,3-benzothiazole
CID 63126041
[1-(5-chloro-1,3-benzothiazol-2-yl)cyclobutyl]methanamine
CID 115445980
5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole
CID 55166649
[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
CID 175802604
[1-(6-methyl-1,3-benzothiazol-2-yl)cyclopentyl]methanamine
CID 115433690
[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexyl]methanamine
CID 113309708
5-bromo-2-(3-methylpiperidin-3-yl)-1,3-benzothiazole
CID 63137728
[1-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865366
[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-methylcyclohexyl]methanamine
CID 115442690
3-methyl-1-(5-methyl-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61290909
N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
CID 171755952

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine (CID 115442675) is [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine is CC1CCC(CN)(c2nc3cc(Br)ccc3s2)CC1.
What is the InChIKey of [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine?
The InChIKey is ULTPWJJDOZEXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10-4-6-15(9-17,7-5-10)14-18-12-8-11(16)2-3-13(12)19-14/h2-3,8,10H,4-7,9,17H2,1H3.
What are the key properties of [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine?
[1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine has a molecular weight of 339.30 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-1,3-benzothiazol-2-yl)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 115442675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).