N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide

C15H12N6O2S2 — CID 5310168

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1
InChIInChI=1S/C15H12N6O2S2/c1-9-7-11(20-23-9)16-13(22)8-25-14-5-4-12-17-18-15(21(12)19-14)10-3-2-6-24-10/h2-7H,8H2,1H3,(H,16,20,22)
InChIKeyQPQYQDKMKXEWLG-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.88
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 5310168) has the molecular formula C15H12N6O2S2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID5310168
Molecular FormulaC15H12N6O2S2
Molecular Weight372.44 g/mol
Exact Mass372.05
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1
InChIInChI=1S/C15H12N6O2S2/c1-9-7-11(20-23-9)16-13(22)8-25-14-5-4-12-17-18-15(21(12)19-14)10-3-2-6-24-10/h2-7H,8H2,1H3,(H,16,20,22)
InChIKeyQPQYQDKMKXEWLG-UHFFFAOYSA-N
XLogP2.88
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 5310168) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is QPQYQDKMKXEWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2S2/c1-9-7-11(20-23-9)16-13(22)8-25-14-5-4-12-17-18-15(21(12)19-14)10-3-2-6-24-10/h2-7H,8H2,1H3,(H,16,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.88, 5 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-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 5310168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).