2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C17H17N5OS2 — CID 40701033

IUPAC2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(C)c(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)c1
InChIInChI=1S/C17H17N5OS2/c1-10-4-5-11(2)13(8-10)14-6-7-16(21-20-14)24-9-15(23)18-17-22-19-12(3)25-17/h4-8H,9H2,1-3H3,(H,18,22,23)
InChIKeyISNNRNQUZKZBEB-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.65
Rot. Bonds5

About 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 40701033) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID40701033
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC Name2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(C)c(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)c1
InChIInChI=1S/C17H17N5OS2/c1-10-4-5-11(2)13(8-10)14-6-7-16(21-20-14)24-9-15(23)18-17-22-19-12(3)25-17/h4-8H,9H2,1-3H3,(H,18,22,23)
InChIKeyISNNRNQUZKZBEB-UHFFFAOYSA-N
XLogP3.65
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-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-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936632
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519631
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18562616
2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16916934
N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7673100
2-(2,4-dimethylphenyl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2701543
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5149159
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18077203

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 40701033) is 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(C)c(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)c1.
What is the InChIKey of 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ISNNRNQUZKZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-10-4-5-11(2)13(8-10)14-6-7-16(21-20-14)24-9-15(23)18-17-22-19-12(3)25-17/h4-8H,9H2,1-3H3,(H,18,22,23).
What are the key properties of 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 371.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 40701033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).