N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C24H25N5O2S2 — CID 30836620

IUPACN-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(N4CCCCC4)nc3c2=O)cc1
InChIInChI=1S/C24H25N5O2S2/c1-2-16-8-10-17(11-9-16)25-19(30)15-29-23(31)21-22(20(27-29)18-7-6-14-32-18)33-24(26-21)28-12-4-3-5-13-28/h6-11,14H,2-5,12-13,15H2,1H3,(H,25,30)
InChIKeyLPDRAJSEJUGHFZ-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.77
Rot. Bonds6

About N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 30836620) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID30836620
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC NameN-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(N4CCCCC4)nc3c2=O)cc1
InChIInChI=1S/C24H25N5O2S2/c1-2-16-8-10-17(11-9-16)25-19(30)15-29-23(31)21-22(20(27-29)18-7-6-14-32-18)33-24(26-21)28-12-4-3-5-13-28/h6-11,14H,2-5,12-13,15H2,1H3,(H,25,30)
InChIKeyLPDRAJSEJUGHFZ-UHFFFAOYSA-N
XLogP4.77
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-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-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 42099963
2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16906658
N-(3,4-dichlorophenyl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16906716
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 16906654
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
2-[7-(4-chlorophenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 16906046
N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857517
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
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-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
CID 23608927
benzyl 2-(4-oxo-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetate
CID 45498100

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of 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) is N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is CCc1ccc(NC(=O)Cn2nc(-c3cccs3)c3sc(N4CCCCC4)nc3c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is LPDRAJSEJUGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-2-16-8-10-17(11-9-16)25-19(30)15-29-23(31)21-22(20(27-29)18-7-6-14-32-18)33-24(26-21)28-12-4-3-5-13-28/h6-11,14H,2-5,12-13,15H2,1H3,(H,25,30).
What are the key properties of N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 479.63 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 30836620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).