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

C17H17N5OS2 — CID 7206128

IUPAC2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ccc(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)cc1
InChIInChI=1S/C17H17N5OS2/c1-3-12-4-6-13(7-5-12)14-8-9-16(21-20-14)24-10-15(23)18-17-22-19-11(2)25-17/h4-9H,3,10H2,1-2H3,(H,18,22,23)
InChIKeyROOVDAYXMPDBMS-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.60
Rot. Bonds6

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

2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 7206128) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID7206128
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC Name2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ccc(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)cc1
InChIInChI=1S/C17H17N5OS2/c1-3-12-4-6-13(7-5-12)14-8-9-16(21-20-14)24-10-15(23)18-17-22-19-11(2)25-17/h4-9H,3,10H2,1-2H3,(H,18,22,23)
InChIKeyROOVDAYXMPDBMS-UHFFFAOYSA-N
XLogP3.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(4-ethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 7206128) is 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1ccc(-c2ccc(SCC(=O)Nc3nnc(C)s3)nn2)cc1.
What is the InChIKey of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ROOVDAYXMPDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c1-3-12-4-6-13(7-5-12)14-8-9-16(21-20-14)24-10-15(23)18-17-22-19-11(2)25-17/h4-9H,3,10H2,1-2H3,(H,18,22,23).
What are the key properties of 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[6-(4-ethylphenyl)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 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 7206128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).