2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H12N6OS2 — CID 56724875

IUPAC2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ccc(-n3ccnc3)nn2)n1
InChIInChI=1S/C13H12N6OS2/c1-9-6-22-13(15-9)16-11(20)7-21-12-3-2-10(17-18-12)19-5-4-14-8-19/h2-6,8H,7H2,1H3,(H,15,16,20)
InChIKeyQWYBFGVVAJYZOI-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.16
Rot. Bonds5

About 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 56724875) has the molecular formula C13H12N6OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID56724875
Molecular FormulaC13H12N6OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC Name2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ccc(-n3ccnc3)nn2)n1
InChIInChI=1S/C13H12N6OS2/c1-9-6-22-13(15-9)16-11(20)7-21-12-3-2-10(17-18-12)19-5-4-14-8-19/h2-6,8H,7H2,1H3,(H,15,16,20)
InChIKeyQWYBFGVVAJYZOI-UHFFFAOYSA-N
XLogP2.16
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90514767
N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138334
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone
CID 121031343
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 16822523
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595309
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17288801
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 54955754
3,3-dimethyl-N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 19629334
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468

Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 56724875) is 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2ccc(-n3ccnc3)nn2)n1.
What is the InChIKey of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QWYBFGVVAJYZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS2/c1-9-6-22-13(15-9)16-11(20)7-21-12-3-2-10(17-18-12)19-5-4-14-8-19/h2-6,8H,7H2,1H3,(H,15,16,20).
What are the key properties of 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56724875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).