N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C22H19N5O2S3 — CID 27461184

IUPACN-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1
InChIInChI=1S/C22H19N5O2S3/c1-13-21(32-22(23-13)18-4-3-11-30-18)17-9-10-20(27-26-17)31-12-19(29)25-16-7-5-15(6-8-16)24-14(2)28/h3-11H,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyADODKPBHFDROHO-UHFFFAOYSA-N
MW481.63 g/mol
LogP5.33
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 27461184) has the molecular formula C22H19N5O2S3 and a molecular weight of 481.63 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID27461184
Molecular FormulaC22H19N5O2S3
Molecular Weight481.63 g/mol
Exact Mass481.07
IUPAC NameN-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1
InChIInChI=1S/C22H19N5O2S3/c1-13-21(32-22(23-13)18-4-3-11-30-18)17-9-10-20(27-26-17)31-12-19(29)25-16-7-5-15(6-8-16)24-14(2)28/h3-11H,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyADODKPBHFDROHO-UHFFFAOYSA-N
XLogP5.33
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.63
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide 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-(3-methylphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27537598
N-(3,5-dimethoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 18562693
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461214
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916774
N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562791
2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 43957462
N-(4-fluorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562631
N-(3,4-dimethoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916803
2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 18562750

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 27461184) is N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is CC(=O)Nc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is ADODKPBHFDROHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S3/c1-13-21(32-22(23-13)18-4-3-11-30-18)17-9-10-20(27-26-17)31-12-19(29)25-16-7-5-15(6-8-16)24-14(2)28/h3-11H,12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 481.63 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 27461184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).