N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

C16H12BrN3OS2 — CID 20900448

IUPACN-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3OS2/c17-11-3-5-12(6-4-11)18-15(21)10-23-16-8-7-13(19-20-16)14-2-1-9-22-14/h1-9H,10H2,(H,18,21)
InChIKeyVNQYOSIOGBEBPG-UHFFFAOYSA-N
MW406.33 g/mol
LogP4.70
Rot. Bonds5

About N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 20900448) has the molecular formula C16H12BrN3OS2 and a molecular weight of 406.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID20900448
Molecular FormulaC16H12BrN3OS2
Molecular Weight406.33 g/mol
Exact Mass404.96
IUPAC NameN-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3OS2/c17-11-3-5-12(6-4-11)18-15(21)10-23-16-8-7-13(19-20-16)14-2-1-9-22-14/h1-9H,10H2,(H,18,21)
InChIKeyVNQYOSIOGBEBPG-UHFFFAOYSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900462
N-(2,4-difluorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900460
N-(4-acetamidophenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461184
N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7688093
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
CID 53073922
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 172640950
N-(3-methylphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27537598
1-piperidin-1-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 12006152
1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 20900471

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 20900448) is N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is VNQYOSIOGBEBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS2/c17-11-3-5-12(6-4-11)18-15(21)10-23-16-8-7-13(19-20-16)14-2-1-9-22-14/h1-9H,10H2,(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 406.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 20900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).