2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide

C15H13N5O2S2 — CID 42138966

IUPAC2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2nc3ccccc3s2)nn1
InChIInChI=1S/C15H13N5O2S2/c1-9(21)16-12-6-7-14(20-19-12)23-8-13(22)18-15-17-10-4-2-3-5-11(10)24-15/h2-7H,8H2,1H3,(H,16,19,21)(H,17,18,22)
InChIKeyXHRKDZQKBSBIOJ-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.78
Rot. Bonds5

About 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide

2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide (PubChem CID 42138966) has the molecular formula C15H13N5O2S2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
PubChem CID42138966
Molecular FormulaC15H13N5O2S2
Molecular Weight359.44 g/mol
Exact Mass359.05
IUPAC Name2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2nc3ccccc3s2)nn1
InChIInChI=1S/C15H13N5O2S2/c1-9(21)16-12-6-7-14(20-19-12)23-8-13(22)18-15-17-10-4-2-3-5-11(10)24-15/h2-7H,8H2,1H3,(H,16,19,21)(H,17,18,22)
InChIKeyXHRKDZQKBSBIOJ-UHFFFAOYSA-N
XLogP2.78
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 42138969
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
CID 16813518
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2211311
N-(1,3-benzothiazol-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2197373
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590379
N-[6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138334
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide (CID 42138966) is 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2nc3ccccc3s2)nn1.
What is the InChIKey of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XHRKDZQKBSBIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S2/c1-9(21)16-12-6-7-14(20-19-12)23-8-13(22)18-15-17-10-4-2-3-5-11(10)24-15/h2-7H,8H2,1H3,(H,16,19,21)(H,17,18,22).
What are the key properties of 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide?
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide has a molecular weight of 359.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 42138966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).