N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

C23H23N5O5S — CID 30836702

IUPACN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc1OC
InChIInChI=1S/C23H23N5O5S/c1-31-15-8-7-14(12-17(15)32-2)24-18(29)13-28-22(30)20-21(19(26-28)16-6-5-11-33-16)34-23(25-20)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,29)
InChIKeyCWTGPJVEJOUWIG-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.37
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 30836702) has the molecular formula C23H23N5O5S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID30836702
Molecular FormulaC23H23N5O5S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc1OC
InChIInChI=1S/C23H23N5O5S/c1-31-15-8-7-14(12-17(15)32-2)24-18(29)13-28-22(30)20-21(19(26-28)16-6-5-11-33-16)34-23(25-20)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,29)
InChIKeyCWTGPJVEJOUWIG-UHFFFAOYSA-N
XLogP3.37
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 30836702) is N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is COc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is CWTGPJVEJOUWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S/c1-31-15-8-7-14(12-17(15)32-2)24-18(29)13-28-22(30)20-21(19(26-28)16-6-5-11-33-16)34-23(25-20)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 481.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 30836702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).