1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea

C15H15N5O2S — CID 58243191

IUPAC1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(Sc3cccc(OC)c3)ccc2n1
InChIInChI=1S/C15H15N5O2S/c1-16-15(21)18-12-9-20-13(17-12)6-7-14(19-20)23-11-5-3-4-10(8-11)22-2/h3-9H,1-2H3,(H2,16,18,21)
InChIKeyIPSUZKKSUYJFBE-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.64
Rot. Bonds4

About 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea

1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea (PubChem CID 58243191) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea
PubChem CID58243191
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(Sc3cccc(OC)c3)ccc2n1
InChIInChI=1S/C15H15N5O2S/c1-16-15(21)18-12-9-20-13(17-12)6-7-14(19-20)23-11-5-3-4-10(8-11)22-2/h3-9H,1-2H3,(H2,16,18,21)
InChIKeyIPSUZKKSUYJFBE-UHFFFAOYSA-N
XLogP2.64
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The IUPAC name of 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea (CID 58243191) is 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea is CNC(=O)Nc1cn2nc(Sc3cccc(OC)c3)ccc2n1.
What is the InChIKey of 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The InChIKey is IPSUZKKSUYJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-16-15(21)18-12-9-20-13(17-12)6-7-14(19-20)23-11-5-3-4-10(8-11)22-2/h3-9H,1-2H3,(H2,16,18,21).
What are the key properties of 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea has a molecular weight of 329.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazin-2-yl]-3-methylurea is sourced from PubChem (CID 58243191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).