[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol

C15H12N4OS — CID 141368142

IUPAC[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol
SMILESOCc1ccc2ncc(Cc3ccc4ncsc4c3)n2n1
InChIInChI=1S/C15H12N4OS/c20-8-11-2-4-15-16-7-12(19(15)18-11)5-10-1-3-13-14(6-10)21-9-17-13/h1-4,6-7,9,20H,5,8H2
InChIKeyDHGQNKCYCGRDBK-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.42
Rot. Bonds3

About [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol

[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol (PubChem CID 141368142) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol.

Molecular Properties

Compound Name[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol
PubChem CID141368142
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol
SMILESOCc1ccc2ncc(Cc3ccc4ncsc4c3)n2n1
InChIInChI=1S/C15H12N4OS/c20-8-11-2-4-15-16-7-12(19(15)18-11)5-10-1-3-13-14(6-10)21-9-17-13/h1-4,6-7,9,20H,5,8H2
InChIKeyDHGQNKCYCGRDBK-UHFFFAOYSA-N
XLogP2.42
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1R,2R)-2-[[6-[[6-(hydroxymethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 89498852
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605
(3-bromoimidazo[1,2-b]pyridazin-6-yl)methanol
CID 130047290
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
CID 107800290
3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 58190478
6-(imidazo[1,2-b]pyridazin-3-ylmethyl)-2-methylsulfanyl-1,3-benzothiazole
CID 86681119
6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine
CID 67967062
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
2-(1,3-benzothiazol-6-yl)-2-methylpropan-1-ol
CID 117296528
6-[[5-(bromomethoxy)benzimidazol-1-yl]methyl]-1,3-benzothiazole
CID 172865037
(6-chloroimidazo[1,2-b]pyridazin-3-yl)methanamine
CID 11480847

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol?
The IUPAC name of [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol (CID 141368142) is [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol.
What is the SMILES notation for [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol?
The canonical SMILES for [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol is OCc1ccc2ncc(Cc3ccc4ncsc4c3)n2n1.
What is the InChIKey of [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol?
The InChIKey is DHGQNKCYCGRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-8-11-2-4-15-16-7-12(19(15)18-11)5-10-1-3-13-14(6-10)21-9-17-13/h1-4,6-7,9,20H,5,8H2.
What are the key properties of [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol?
[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol has a molecular weight of 296.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol is sourced from PubChem (CID 141368142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).