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

C16H22N2OS — CID 79518457

IUPACN-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CC(C)CC(C)C3)sc2c1
InChIInChI=1S/C16H22N2OS/c1-10-6-11(2)8-12(7-10)17-16-18-14-5-4-13(19-3)9-15(14)20-16/h4-5,9-12H,6-8H2,1-3H3,(H,17,18)
InChIKeyUYCVTGUYFRWEAB-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.54
Rot. Bonds3

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

N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79518457) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79518457
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CC(C)CC(C)C3)sc2c1
InChIInChI=1S/C16H22N2OS/c1-10-6-11(2)8-12(7-10)17-16-18-14-5-4-13(19-3)9-15(14)20-16/h4-5,9-12H,6-8H2,1-3H3,(H,17,18)
InChIKeyUYCVTGUYFRWEAB-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
CID 79518605
N-(1,1-dioxothian-3-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519118
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 79518457) is N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NC3CC(C)CC(C)C3)sc2c1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is UYCVTGUYFRWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-6-11(2)8-12(7-10)17-16-18-14-5-4-13(19-3)9-15(14)20-16/h4-5,9-12H,6-8H2,1-3H3,(H,17,18).
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).