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

C18H16N4OS — CID 126475641

IUPAC[2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2ccc(NCc3cccs3)nn12
InChIInChI=1S/C18H16N4OS/c23-12-13-4-1-2-6-15(13)16-11-20-18-8-7-17(21-22(16)18)19-10-14-5-3-9-24-14/h1-9,11,23H,10,12H2,(H,19,21)
InChIKeyQXSDICRXKVJZAP-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.56
Rot. Bonds5

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

[2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (PubChem CID 126475641) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
PubChem CID126475641
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name[2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2ccc(NCc3cccs3)nn12
InChIInChI=1S/C18H16N4OS/c23-12-13-4-1-2-6-15(13)16-11-20-18-8-7-17(21-22(16)18)19-10-14-5-3-9-24-14/h1-9,11,23H,10,12H2,(H,19,21)
InChIKeyQXSDICRXKVJZAP-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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Related Compounds

(2-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093438
(2S)-2-[[3-(3-methylsulfanylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 137643721
(2S)-2-[(3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 137658970
3-phenyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 6419824
(2-(Imidazo[1,2-b]pyridazin-3-yl)phenyl)methanol
CID 49790546
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475788
[2-[3-[5-(Hydroxymethyl)thiophen-2-yl]imidazo[1,5-a]pyridin-1-yl]phenyl]methanol
CID 134132602
[4-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155538840
[4-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenyl]methanol
CID 155554723
1-Phenyl-2-[5-pyridin-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]ethanol
CID 176556162
3-(4-fluoro-phenyl)-N-(2-thienylmethyl) imidazo[1,2-b]pyridazin-6-amine
CID 58857752

Frequently Asked Questions

What is the IUPAC name of [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol (CID 126475641) is [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is OCc1ccccc1-c1cnc2ccc(NCc3cccs3)nn12.
What is the InChIKey of [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
The InChIKey is QXSDICRXKVJZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-12-13-4-1-2-6-15(13)16-11-20-18-8-7-17(21-22(16)18)19-10-14-5-3-9-24-14/h1-9,11,23H,10,12H2,(H,19,21).
What are the key properties of [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol?
[2-[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 [2-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 126475641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).