[3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

C18H16N4OS — CID 126473190

IUPAC[3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C18H16N4OS/c23-12-13-3-1-4-14(9-13)16-11-20-18-7-6-17(21-22(16)18)19-10-15-5-2-8-24-15/h1-9,11,23H,10,12H2,(H,19,21)
InChIKeyYDIVRLGBCSHCBU-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.56
Rot. Bonds5

About [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol

[3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 126473190) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID126473190
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name[3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1
InChIInChI=1S/C18H16N4OS/c23-12-13-3-1-4-14(9-13)16-11-20-18-7-6-17(21-22(16)18)19-10-15-5-2-8-24-15/h1-9,11,23H,10,12H2,(H,19,21)
InChIKeyYDIVRLGBCSHCBU-UHFFFAOYSA-N
XLogP3.56
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 126473190) is [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is OCc1cccc(-c2cnc3ccc(NCc4cccs4)nn23)c1.
What is the InChIKey of [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is YDIVRLGBCSHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-12-13-3-1-4-14(9-13)16-11-20-18-7-6-17(21-22(16)18)19-10-15-5-2-8-24-15/h1-9,11,23H,10,12H2,(H,19,21).
What are the key properties of [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol has a molecular weight of 336.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126473190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).