(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine

C15H13N5S — CID 121245150

IUPAC(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine
SMILESC[C@@H](N)c1cc2nccn2nc1-c1ccc2scnc2c1
InChIInChI=1S/C15H13N5S/c1-9(16)11-7-14-17-4-5-20(14)19-15(11)10-2-3-13-12(6-10)18-8-21-13/h2-9H,16H2,1H3/t9-/m1/s1
InChIKeyGJZFSMAESUSLIT-SECBINFHSA-N
MW295.37 g/mol
LogP3.03
Rot. Bonds2

About (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine

(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine (PubChem CID 121245150) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine
PubChem CID121245150
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine
SMILESC[C@@H](N)c1cc2nccn2nc1-c1ccc2scnc2c1
InChIInChI=1S/C15H13N5S/c1-9(16)11-7-14-17-4-5-20(14)19-15(11)10-2-3-13-12(6-10)18-8-21-13/h2-9H,16H2,1H3/t9-/m1/s1
InChIKeyGJZFSMAESUSLIT-SECBINFHSA-N
XLogP3.03
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine?
The IUPAC name of (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine (CID 121245150) is (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine.
What is the SMILES notation for (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine?
The canonical SMILES for (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine is C[C@@H](N)c1cc2nccn2nc1-c1ccc2scnc2c1.
What is the InChIKey of (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine?
The InChIKey is GJZFSMAESUSLIT-SECBINFHSA-N. The full InChI is InChI=1S/C15H13N5S/c1-9(16)11-7-14-17-4-5-20(14)19-15(11)10-2-3-13-12(6-10)18-8-21-13/h2-9H,16H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine?
(1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine has a molecular weight of 295.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(1,3-benzothiazol-5-yl)imidazo[1,2-b]pyridazin-7-yl]ethanamine is sourced from PubChem (CID 121245150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).