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

C15H20N2OS — CID 82763167

IUPAC2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCCOc1ccc2nc(C3(C)CCCC3N)sc2c1
InChIInChI=1S/C15H20N2OS/c1-3-18-10-6-7-11-12(9-10)19-14(17-11)15(2)8-4-5-13(15)16/h6-7,9,13H,3-5,8,16H2,1-2H3
InChIKeyDCGDDKSFKRRHOZ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.46
Rot. Bonds3

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

2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine (PubChem CID 82763167) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine
PubChem CID82763167
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine
SMILESCCOc1ccc2nc(C3(C)CCCC3N)sc2c1
InChIInChI=1S/C15H20N2OS/c1-3-18-10-6-7-11-12(9-10)19-14(17-11)15(2)8-4-5-13(15)16/h6-7,9,13H,3-5,8,16H2,1-2H3
InChIKeyDCGDDKSFKRRHOZ-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylcyclohexan-1-amine
CID 79519137
cis-(1S,3R)-3-(6-ethoxy-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 106323063
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
1-cyclopropyl-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 79518771
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
N'-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methylethane-1,2-diamine
CID 123503017
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
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
(2S,5R)-5-(aminomethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120782820
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine?
The IUPAC name of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine (CID 82763167) is 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine is CCOc1ccc2nc(C3(C)CCCC3N)sc2c1.
What is the InChIKey of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine?
The InChIKey is DCGDDKSFKRRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-18-10-6-7-11-12(9-10)19-14(17-11)15(2)8-4-5-13(15)16/h6-7,9,13H,3-5,8,16H2,1-2H3.
What are the key properties of 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine?
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).