1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine

C16H22N2OS — CID 79519137

IUPAC1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCOc1ccc2nc(C3(N)CCC(C)CC3)sc2c1
InChIInChI=1S/C16H22N2OS/c1-3-19-12-4-5-13-14(10-12)20-15(18-13)16(17)8-6-11(2)7-9-16/h4-5,10-11H,3,6-9,17H2,1-2H3
InChIKeySJRMEPRXCVVVJR-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.06
Rot. Bonds3

About 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine

1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 79519137) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID79519137
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCCOc1ccc2nc(C3(N)CCC(C)CC3)sc2c1
InChIInChI=1S/C16H22N2OS/c1-3-19-12-4-5-13-14(10-12)20-15(18-13)16(17)8-6-11(2)7-9-16/h4-5,10-11H,3,6-9,17H2,1-2H3
InChIKeySJRMEPRXCVVVJR-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763167
1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 79518771
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 106323063
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine (CID 79519137) is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine is CCOc1ccc2nc(C3(N)CCC(C)CC3)sc2c1.
What is the InChIKey of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is SJRMEPRXCVVVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-19-12-4-5-13-14(10-12)20-15(18-13)16(17)8-6-11(2)7-9-16/h4-5,10-11H,3,6-9,17H2,1-2H3.
What are the key properties of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine?
1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 79519137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).