N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

C19H17N5OS — CID 66890617

IUPACN-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(N(C)c4cccs4)nn23)c1
InChIInChI=1S/C19H17N5OS/c1-13(25)21-15-6-3-5-14(11-15)16-12-20-17-8-9-18(22-24(16)17)23(2)19-7-4-10-26-19/h3-12H,1-2H3,(H,21,25)
InChIKeyBWGKWOBQXSBALK-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.18
Rot. Bonds4

About N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 66890617) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID66890617
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(N(C)c4cccs4)nn23)c1
InChIInChI=1S/C19H17N5OS/c1-13(25)21-15-6-3-5-14(11-15)16-12-20-17-8-9-18(22-24(16)17)23(2)19-7-4-10-26-19/h3-12H,1-2H3,(H,21,25)
InChIKeyBWGKWOBQXSBALK-UHFFFAOYSA-N
XLogP4.18
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 66890617) is N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3ccc(N(C)c4cccs4)nn23)c1.
What is the InChIKey of N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is BWGKWOBQXSBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-13(25)21-15-6-3-5-14(11-15)16-12-20-17-8-9-18(22-24(16)17)23(2)19-7-4-10-26-19/h3-12H,1-2H3,(H,21,25).
What are the key properties of N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[methyl(thiophen-2-yl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 66890617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).