N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C25H25N5O2S — CID 30836517

IUPACN-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O
InChIInChI=1S/C25H25N5O2S/c1-16-9-8-10-17(2)20(16)26-19(31)15-30-24(32)22-23(21(28-30)18-11-4-3-5-12-18)33-25(27-22)29-13-6-7-14-29/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,26,31)
InChIKeyYHEUWEXQEKWZOD-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.38
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 30836517) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID30836517
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O
InChIInChI=1S/C25H25N5O2S/c1-16-9-8-10-17(2)20(16)26-19(31)15-30-24(32)22-23(21(28-30)18-11-4-3-5-12-18)33-25(27-22)29-13-6-7-14-29/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,26,31)
InChIKeyYHEUWEXQEKWZOD-UHFFFAOYSA-N
XLogP4.38
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-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

Related Compounds

N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 30836671
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
benzyl 2-(4-oxo-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetate
CID 45498100
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 45498091
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-(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
4-[[2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetyl]amino]benzamide
CID 16905883
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905922
N-benzyl-2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16905876
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-prop-2-enylacetamide
CID 16905910
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
2-(2-methyl-4-oxo-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-(2-phenylethyl)acetamide
CID 16905880

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of 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) is N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)c2sc(N3CCCC3)nc2c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is YHEUWEXQEKWZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-16-9-8-10-17(2)20(16)26-19(31)15-30-24(32)22-23(21(28-30)18-11-4-3-5-12-18)33-25(27-22)29-13-6-7-14-29/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,26,31).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 459.58 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-oxo-7-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 30836517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).