6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine

C15H19BrN2S — CID 79528174

IUPAC6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCC1CC(C)CC(Nc2nc3ccc(Br)cc3s2)C1
InChIInChI=1S/C15H19BrN2S/c1-9-5-10(2)7-12(6-9)17-15-18-13-4-3-11(16)8-14(13)19-15/h3-4,8-10,12H,5-7H2,1-2H3,(H,17,18)
InChIKeyLWGVUBDHYWKRSD-UHFFFAOYSA-N
MW339.30 g/mol
LogP5.30
Rot. Bonds2

About 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine

6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine (PubChem CID 79528174) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
PubChem CID79528174
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCC1CC(C)CC(Nc2nc3ccc(Br)cc3s2)C1
InChIInChI=1S/C15H19BrN2S/c1-9-5-10(2)7-12(6-9)17-15-18-13-4-3-11(16)8-14(13)19-15/h3-4,8-10,12H,5-7H2,1-2H3,(H,17,18)
InChIKeyLWGVUBDHYWKRSD-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
6-bromo-N-(2,3-dihydro-1H-inden-2-yl)-1,3-benzothiazol-2-amine
CID 107853185
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
N-(2-bicyclo[2.2.1]heptanyl)-6-bromo-1,3-benzothiazol-2-amine
CID 79528609
6-bromo-N-(2-phenylcyclopropyl)-1,3-benzothiazol-2-amine
CID 79524987
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
CID 64751144
2-N-(4-methylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63231366
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine (CID 79528174) is 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine is CC1CC(C)CC(Nc2nc3ccc(Br)cc3s2)C1.
What is the InChIKey of 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine?
The InChIKey is LWGVUBDHYWKRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-9-5-10(2)7-12(6-9)17-15-18-13-4-3-11(16)8-14(13)19-15/h3-4,8-10,12H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine has a molecular weight of 339.30 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).