6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine

C16H23N3S — CID 114516288

IUPAC6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCC3CCN(C)CC3)sc2c1
InChIInChI=1S/C16H23N3S/c1-12-3-4-14-15(11-12)20-16(18-14)17-8-5-13-6-9-19(2)10-7-13/h3-4,11,13H,5-10H2,1-2H3,(H,17,18)
InChIKeyCSXLJMFXCZHOLQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.75
Rot. Bonds4

About 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine

6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 114516288) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID114516288
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCC3CCN(C)CC3)sc2c1
InChIInChI=1S/C16H23N3S/c1-12-3-4-14-15(11-12)20-16(18-14)17-8-5-13-6-9-19(2)10-7-13/h3-4,11,13H,5-10H2,1-2H3,(H,17,18)
InChIKeyCSXLJMFXCZHOLQ-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine (CID 114516288) is 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCCC3CCN(C)CC3)sc2c1.
What is the InChIKey of 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is CSXLJMFXCZHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12-3-4-14-15(11-12)20-16(18-14)17-8-5-13-6-9-19(2)10-7-13/h3-4,11,13H,5-10H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine?
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114516288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).