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

C23H23N5O3S — CID 30836720

IUPAC2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc1
InChIInChI=1S/C23H23N5O3S/c1-15-6-8-16(9-7-15)13-24-18(29)14-28-22(30)20-21(19(26-28)17-5-4-12-31-17)32-23(25-20)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,24,29)
InChIKeyCKIGYXAGFYAIAU-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.34
Rot. Bonds6

About 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

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 (PubChem CID 30836720) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID30836720
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc1
InChIInChI=1S/C23H23N5O3S/c1-15-6-8-16(9-7-15)13-24-18(29)14-28-22(30)20-21(19(26-28)17-5-4-12-31-17)32-23(25-20)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,24,29)
InChIKeyCKIGYXAGFYAIAU-UHFFFAOYSA-N
XLogP3.34
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16905882
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)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42100005
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
N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 30836517
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
N-benzyl-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905876
2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 50833609
N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 30836620
N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785186

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CNC(=O)Cn2nc(-c3ccco3)c3sc(N4CCCC4)nc3c2=O)cc1.
What is the InChIKey of 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?
The InChIKey is CKIGYXAGFYAIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-15-6-8-16(9-7-15)13-24-18(29)14-28-22(30)20-21(19(26-28)17-5-4-12-31-17)32-23(25-20)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,24,29).
What are the key properties of 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?
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 has a molecular weight of 449.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 30836720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).