N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide

C20H15FN4OS2 — CID 16858098

IUPACN-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
SMILESCc1nc2c(SCC(=O)Nc3ccccc3F)nnc(-c3ccccc3)c2s1
InChIInChI=1S/C20H15FN4OS2/c1-12-22-18-19(28-12)17(13-7-3-2-4-8-13)24-25-20(18)27-11-16(26)23-15-10-6-5-9-14(15)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeyDNTYKDFWYKWGNF-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.93
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide

N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide (PubChem CID 16858098) has the molecular formula C20H15FN4OS2 and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
PubChem CID16858098
Molecular FormulaC20H15FN4OS2
Molecular Weight410.50 g/mol
Exact Mass410.07
IUPAC NameN-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
SMILESCc1nc2c(SCC(=O)Nc3ccccc3F)nnc(-c3ccccc3)c2s1
InChIInChI=1S/C20H15FN4OS2/c1-12-22-18-19(28-12)17(13-7-3-2-4-8-13)24-25-20(18)27-11-16(26)23-15-10-6-5-9-14(15)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeyDNTYKDFWYKWGNF-UHFFFAOYSA-N
XLogP4.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]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-(2,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7207545
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-phenylacetamide
CID 16019346
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(4-ethylphenyl)acetamide
CID 7207512
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-fluorophenyl)acetamide
CID 7207548
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-fluorophenyl)acetamide
CID 7222599
N-(3,4-difluorophenyl)-2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 7222624
N-mesityl-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019350
N-(4-Ethylphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019352
2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 16019354
N-(3-acetamidophenyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019358
N-(2,4-Difluorophenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019383
N-(3-fluoro-4-methylphenyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019388

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide (CID 16858098) is N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide is Cc1nc2c(SCC(=O)Nc3ccccc3F)nnc(-c3ccccc3)c2s1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The InChIKey is DNTYKDFWYKWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS2/c1-12-22-18-19(28-12)17(13-7-3-2-4-8-13)24-25-20(18)27-11-16(26)23-15-10-6-5-9-14(15)21/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 16858098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).