2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H16N6O2S — CID 18573969

IUPAC2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)no1
InChIInChI=1S/C19H16N6O2S/c1-13-10-17(24-27-13)21-18(26)11-28-19-7-6-16(22-23-19)14-2-4-15(5-3-14)25-9-8-20-12-25/h2-10,12H,11H2,1H3,(H,21,24,26)
InChIKeyOPCPGRDOFPTDDF-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.36
Rot. Bonds6

About 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 18573969) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID18573969
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)no1
InChIInChI=1S/C19H16N6O2S/c1-13-10-17(24-27-13)21-18(26)11-28-19-7-6-16(22-23-19)14-2-4-15(5-3-14)25-9-8-20-12-25/h2-10,12H,11H2,1H3,(H,21,24,26)
InChIKeyOPCPGRDOFPTDDF-UHFFFAOYSA-N
XLogP3.36
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 18573969) is 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)no1.
What is the InChIKey of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OPCPGRDOFPTDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-13-10-17(24-27-13)21-18(26)11-28-19-7-6-16(22-23-19)14-2-4-15(5-3-14)25-9-8-20-12-25/h2-10,12H,11H2,1H3,(H,21,24,26).
What are the key properties of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 18573969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).