ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol

C12H12N4O2S — CID 163422214

IUPACethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol
SMILESCCOC(O)c1nc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C12H12N4O2S/c1-2-18-12(17)11-15-8(7-19-11)9-6-13-10-4-3-5-14-16(9)10/h3-7,12,17H,2H2,1H3
InChIKeyAJKIHMZGMYZZON-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.88
Rot. Bonds4

About ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol

ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol (PubChem CID 163422214) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Nameethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol
PubChem CID163422214
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Nameethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol
SMILESCCOC(O)c1nc(-c2cnc3cccnn23)cs1
InChIInChI=1S/C12H12N4O2S/c1-2-18-12(17)11-15-8(7-19-11)9-6-13-10-4-3-5-14-16(9)10/h3-7,12,17H,2H2,1H3
InChIKeyAJKIHMZGMYZZON-UHFFFAOYSA-N
XLogP1.88
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol (CID 163422214) is ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol is CCOC(O)c1nc(-c2cnc3cccnn23)cs1.
What is the InChIKey of ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is AJKIHMZGMYZZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-2-18-12(17)11-15-8(7-19-11)9-6-13-10-4-3-5-14-16(9)10/h3-7,12,17H,2H2,1H3.
What are the key properties of ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol?
ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 276.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-imidazo[1,2-b]pyridazin-3-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 163422214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).