2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine

C14H19N3OS — CID 65472254

IUPAC2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine
SMILESCN1CCCCC1COc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-17-7-3-2-4-11(17)9-18-14-16-12-6-5-10(15)8-13(12)19-14/h5-6,8,11H,2-4,7,9,15H2,1H3
InChIKeyUBZCVQAQJCULJZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.74
Rot. Bonds3

About 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine

2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine (PubChem CID 65472254) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine
PubChem CID65472254
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine
SMILESCN1CCCCC1COc1nc2ccc(N)cc2s1
InChIInChI=1S/C14H19N3OS/c1-17-7-3-2-4-11(17)9-18-14-16-12-6-5-10(15)8-13(12)19-14/h5-6,8,11H,2-4,7,9,15H2,1H3
InChIKeyUBZCVQAQJCULJZ-UHFFFAOYSA-N
XLogP2.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine (CID 65472254) is 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine is CN1CCCCC1COc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine?
The InChIKey is UBZCVQAQJCULJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17-7-3-2-4-11(17)9-18-14-16-12-6-5-10(15)8-13(12)19-14/h5-6,8,11H,2-4,7,9,15H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine?
2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine has a molecular weight of 277.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methoxy]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 65472254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).