methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate

C22H20N4O5S — CID 45498135

IUPACmethyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1
InChIInChI=1S/C22H20N4O5S/c1-29-21(28)15-6-4-14(5-7-15)13-26-20(27)18-19(17(24-26)16-3-2-10-31-16)32-22(23-18)25-8-11-30-12-9-25/h2-7,10H,8-9,11-13H2,1H3
InChIKeyZNAZCZRSTPGKCG-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.78
Rot. Bonds5

About methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate

methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate (PubChem CID 45498135) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate
PubChem CID45498135
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Namemethyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1
InChIInChI=1S/C22H20N4O5S/c1-29-21(28)15-6-4-14(5-7-15)13-26-20(27)18-19(17(24-26)16-3-2-10-31-16)32-22(23-18)25-8-11-30-12-9-25/h2-7,10H,8-9,11-13H2,1H3
InChIKeyZNAZCZRSTPGKCG-UHFFFAOYSA-N
XLogP2.78
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate with MolForge

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Related Compounds

5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 42100022
2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42100005
N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 42100001
2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 30836720
N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 30836842
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 42099963
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide;methyl 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoate
CID 160736159
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452
N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 45498097
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
CID 39858884

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate (CID 45498135) is methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate is COC(=O)c1ccc(Cn2nc(-c3ccco3)c3sc(N4CCOCC4)nc3c2=O)cc1.
What is the InChIKey of methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate?
The InChIKey is ZNAZCZRSTPGKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c1-29-21(28)15-6-4-14(5-7-15)13-26-20(27)18-19(17(24-26)16-3-2-10-31-16)32-22(23-18)25-8-11-30-12-9-25/h2-7,10H,8-9,11-13H2,1H3.
What are the key properties of methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate?
methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate has a molecular weight of 452.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]methyl]benzoate is sourced from PubChem (CID 45498135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).