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

C19H20N4OS2 — CID 7207512

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1
InChIInChI=1S/C19H20N4OS2/c1-4-14-5-7-15(8-6-14)21-17(24)11-25-18-10-9-16(22-23-18)19-12(2)20-13(3)26-19/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyMGXDAEVSDBSDJP-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.51
Rot. Bonds6

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

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 7207512) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID7207512
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1
InChIInChI=1S/C19H20N4OS2/c1-4-14-5-7-15(8-6-14)21-17(24)11-25-18-10-9-16(22-23-18)19-12(2)20-13(3)26-19/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyMGXDAEVSDBSDJP-UHFFFAOYSA-N
XLogP4.51
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)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-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide (CID 7207512) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1.
What is the InChIKey of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is MGXDAEVSDBSDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-4-14-5-7-15(8-6-14)21-17(24)11-25-18-10-9-16(22-23-18)19-12(2)20-13(3)26-19/h5-10H,4,11H2,1-3H3,(H,21,24).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 384.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 7207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).