N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide

C23H21ClN4O2S — CID 168887085

IUPACN-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C23H21ClN4O2S/c1-14(2)21(29)26-23-25-19-20(31-23)18(16-8-10-17(24)11-9-16)27-28(22(19)30)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,25,26,29)
InChIKeyGNPKKGZKWHXVEG-UHFFFAOYSA-N
MW452.97 g/mol
LogP5.01
Rot. Bonds6

About N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide

N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide (PubChem CID 168887085) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide
PubChem CID168887085
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC NameN-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C23H21ClN4O2S/c1-14(2)21(29)26-23-25-19-20(31-23)18(16-8-10-17(24)11-9-16)27-28(22(19)30)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,25,26,29)
InChIKeyGNPKKGZKWHXVEG-UHFFFAOYSA-N
XLogP5.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.97
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide 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-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide (CID 168887085) is N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide?
The InChIKey is GNPKKGZKWHXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c1-14(2)21(29)26-23-25-19-20(31-23)18(16-8-10-17(24)11-9-16)27-28(22(19)30)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,25,26,29).
What are the key properties of N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide?
N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide has a molecular weight of 452.97 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-chlorophenyl)-4-oxo-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 168887085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).