6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine

C12H14BrN3S — CID 83017969

IUPAC6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NN3CCCCC3)sc2c1
InChIInChI=1S/C12H14BrN3S/c13-9-4-5-10-11(8-9)17-12(14-10)15-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyZDTIKJZPIMSHNM-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.87
Rot. Bonds2

About 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine

6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine (PubChem CID 83017969) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
PubChem CID83017969
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine
SMILESBrc1ccc2nc(NN3CCCCC3)sc2c1
InChIInChI=1S/C12H14BrN3S/c13-9-4-5-10-11(8-9)17-12(14-10)15-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyZDTIKJZPIMSHNM-UHFFFAOYSA-N
XLogP3.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine (CID 83017969) is 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine is Brc1ccc2nc(NN3CCCCC3)sc2c1.
What is the InChIKey of 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
The InChIKey is ZDTIKJZPIMSHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-9-4-5-10-11(8-9)17-12(14-10)15-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,14,15).
What are the key properties of 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine?
6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine has a molecular weight of 312.24 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-piperidin-1-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 83017969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).