N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C14H12N4O2S2 — CID 7207209

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)no1
InChIInChI=1S/C14H12N4O2S2/c1-9-7-12(18-20-9)15-13(19)8-22-14-5-4-10(16-17-14)11-3-2-6-21-11/h2-7H,8H2,1H3,(H,15,18,19)
InChIKeyBJOMQNYVNONJOG-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.23
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207209) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207209
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)no1
InChIInChI=1S/C14H12N4O2S2/c1-9-7-12(18-20-9)15-13(19)8-22-14-5-4-10(16-17-14)11-3-2-6-21-11/h2-7H,8H2,1H3,(H,15,18,19)
InChIKeyBJOMQNYVNONJOG-UHFFFAOYSA-N
XLogP3.23
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207209) is N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(-c3cccs3)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is BJOMQNYVNONJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-9-7-12(18-20-9)15-13(19)8-22-14-5-4-10(16-17-14)11-3-2-6-21-11/h2-7H,8H2,1H3,(H,15,18,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 332.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).