6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine

C15H19BrN2S — CID 79527741

IUPAC6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CCCCC1CNc1nc2ccc(Br)cc2s1
InChIInChI=1S/C15H19BrN2S/c1-10-4-2-3-5-11(10)9-17-15-18-13-7-6-12(16)8-14(13)19-15/h6-8,10-11H,2-5,9H2,1H3,(H,17,18)
InChIKeyGYHANQVMLQNWTM-UHFFFAOYSA-N
MW339.30 g/mol
LogP5.30
Rot. Bonds3

About 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine

6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79527741) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79527741
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CCCCC1CNc1nc2ccc(Br)cc2s1
InChIInChI=1S/C15H19BrN2S/c1-10-4-2-3-5-11(10)9-17-15-18-13-7-6-12(16)8-14(13)19-15/h6-8,10-11H,2-5,9H2,1H3,(H,17,18)
InChIKeyGYHANQVMLQNWTM-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.30
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 79528606
6-bromo-N-(2,2,3-trimethylbutyl)-1,3-benzothiazol-2-amine
CID 114101102
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-bromo-N-(4-methylpentyl)-1,3-benzothiazol-2-amine
CID 79527747
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
6-bromo-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79528435
6-bromo-N-(3-propoxypropyl)-1,3-benzothiazol-2-amine
CID 82943869
5-bromo-N-(thiolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 80585921
5-bromo-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 63712462
N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
CID 5176965

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine (CID 79527741) is 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine is CC1CCCCC1CNc1nc2ccc(Br)cc2s1.
What is the InChIKey of 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is GYHANQVMLQNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10-4-2-3-5-11(10)9-17-15-18-13-7-6-12(16)8-14(13)19-15/h6-8,10-11H,2-5,9H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine?
6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 339.30 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-methylcyclohexyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79527741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).