3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C18H18N4OS2 — CID 143417751

IUPAC3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCOCc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)s1
InChIInChI=1S/C18H18N4OS2/c1-2-23-12-14-5-6-16(25-14)15-11-20-18-8-7-17(21-22(15)18)19-10-13-4-3-9-24-13/h3-9,11H,2,10,12H2,1H3,(H,19,21)
InChIKeyCZFHOGYYLOTECV-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.67
Rot. Bonds7

About 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 143417751) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID143417751
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCOCc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)s1
InChIInChI=1S/C18H18N4OS2/c1-2-23-12-14-5-6-16(25-14)15-11-20-18-8-7-17(21-22(15)18)19-10-13-4-3-9-24-13/h3-9,11H,2,10,12H2,1H3,(H,19,21)
InChIKeyCZFHOGYYLOTECV-UHFFFAOYSA-N
XLogP4.67
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 143417751) is 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is CCOCc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)s1.
What is the InChIKey of 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CZFHOGYYLOTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-2-23-12-14-5-6-16(25-14)15-11-20-18-8-7-17(21-22(15)18)19-10-13-4-3-9-24-13/h3-9,11H,2,10,12H2,1H3,(H,19,21).
What are the key properties of 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 370.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethoxymethyl)thiophen-2-yl]-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 143417751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).