N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine

C16H23N3OS — CID 566936

IUPACN,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine
SMILESCN(C)c1nc2ccc(OCCN3CCCCC3)cc2s1
InChIInChI=1S/C16H23N3OS/c1-18(2)16-17-14-7-6-13(12-15(14)21-16)20-11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyAEJVCCNCKQDWCR-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.23
Rot. Bonds5

About N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine

N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine (PubChem CID 566936) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine
PubChem CID566936
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine
SMILESCN(C)c1nc2ccc(OCCN3CCCCC3)cc2s1
InChIInChI=1S/C16H23N3OS/c1-18(2)16-17-14-7-6-13(12-15(14)21-16)20-11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyAEJVCCNCKQDWCR-UHFFFAOYSA-N
XLogP3.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine?
The IUPAC name of N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine (CID 566936) is N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine?
The canonical SMILES for N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine is CN(C)c1nc2ccc(OCCN3CCCCC3)cc2s1.
What is the InChIKey of N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine?
The InChIKey is AEJVCCNCKQDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-18(2)16-17-14-7-6-13(12-15(14)21-16)20-11-10-19-8-4-3-5-9-19/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine?
N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine has a molecular weight of 305.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2-piperidin-1-ylethoxy)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 566936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).