2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide

C19H17BrN4OS — CID 53073922

IUPAC2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
SMILESO=C(CSc1ccc(NCc2ccccc2)nn1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H17BrN4OS/c20-15-6-8-16(9-7-15)22-18(25)13-26-19-11-10-17(23-24-19)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)(H,22,25)
InChIKeyCSIBWLUBTOUJPK-UHFFFAOYSA-N
MW429.34 g/mol
LogP4.58
Rot. Bonds7

About 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide

2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide (PubChem CID 53073922) has the molecular formula C19H17BrN4OS and a molecular weight of 429.34 g/mol. Its IUPAC name is 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
PubChem CID53073922
Molecular FormulaC19H17BrN4OS
Molecular Weight429.34 g/mol
Exact Mass428.03
IUPAC Name2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide
SMILESO=C(CSc1ccc(NCc2ccccc2)nn1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H17BrN4OS/c20-15-6-8-16(9-7-15)22-18(25)13-26-19-11-10-17(23-24-19)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)(H,22,25)
InChIKeyCSIBWLUBTOUJPK-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[6-(benzylamino)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073910
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073997
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
ethyl 4-[[2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53073966
N-(4-bromophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900448
ethyl 4-[[2-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 53074042
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 172640950
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617

Frequently Asked Questions

What is the IUPAC name of 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide (CID 53073922) is 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide is O=C(CSc1ccc(NCc2ccccc2)nn1)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide?
The InChIKey is CSIBWLUBTOUJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4OS/c20-15-6-8-16(9-7-15)22-18(25)13-26-19-11-10-17(23-24-19)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)(H,22,25).
What are the key properties of 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide?
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide has a molecular weight of 429.34 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 53073922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).