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

C19H16N6O2S2 — CID 16916929

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)no1
InChIInChI=1S/C19H16N6O2S2/c1-11-8-15(25-27-11)22-16(26)10-28-17-6-5-14(23-24-17)18-12(2)21-19(29-18)13-4-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,22,25,26)
InChIKeyOSWOGTNJPFIUAF-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.00
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916929) has the molecular formula C19H16N6O2S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID16916929
Molecular FormulaC19H16N6O2S2
Molecular Weight424.51 g/mol
Exact Mass424.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)no1
InChIInChI=1S/C19H16N6O2S2/c1-11-8-15(25-27-11)22-16(26)10-28-17-6-5-14(23-24-17)18-12(2)21-19(29-18)13-4-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,22,25,26)
InChIKeyOSWOGTNJPFIUAF-UHFFFAOYSA-N
XLogP4.00
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-Methyl-isoxazol-3-yl)-3-{3-[4-methyl-5-(4-pyrazol-1-yl-phenyl)-thiazol-2-yl]-ureido}-propionamide
CID 23642173
N-(5-methyl-3-isoxazolyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
CID 5310005
N-(5-methylisoxazol-3-yl)-2-((3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide
CID 5310527
2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 660561
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36262690
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7207537
N-(5-methylisoxazol-3-yl)-2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)acetamide
CID 7222483
2-((2-methyl-7-phenylthiazolo[4,5-d]pyridazin-4-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 16858133
2-((6-(4-(1H-imidazol-1-yl)phenyl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 18573969
N-(5-methylisoxazol-3-yl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207397
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8893076
2-((6-(2-(4-fluorophenyl)-4-methylthiazol-5-yl)pyridazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 18562749

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 16916929) is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is OSWOGTNJPFIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S2/c1-11-8-15(25-27-11)22-16(26)10-28-17-6-5-14(23-24-17)18-12(2)21-19(29-18)13-4-3-7-20-9-13/h3-9H,10H2,1-2H3,(H,22,25,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 424.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).