N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide

C25H24N4O4S2 — CID 16916712

IUPACN-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(OC)cc4OC)nn3)s2)cc1
InChIInChI=1S/C25H24N4O4S2/c1-15-24(35-25(26-15)16-5-7-17(31-2)8-6-16)20-11-12-23(29-28-20)34-14-22(30)27-19-10-9-18(32-3)13-21(19)33-4/h5-13H,14H2,1-4H3,(H,27,30)
InChIKeyJKXOHVRRPPQXFP-UHFFFAOYSA-N
MW508.63 g/mol
LogP5.33
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916712) has the molecular formula C25H24N4O4S2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID16916712
Molecular FormulaC25H24N4O4S2
Molecular Weight508.63 g/mol
Exact Mass508.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(OC)cc4OC)nn3)s2)cc1
InChIInChI=1S/C25H24N4O4S2/c1-15-24(35-25(26-15)16-5-7-17(31-2)8-6-16)20-11-12-23(29-28-20)34-14-22(30)27-19-10-9-18(32-3)13-21(19)33-4/h5-13H,14H2,1-4H3,(H,27,30)
InChIKeyJKXOHVRRPPQXFP-UHFFFAOYSA-N
XLogP5.33
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562627
N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916774
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16840642
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957505
N-(3-acetylphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916753
N-[2-(4-methoxyphenyl)ethyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916764
N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957473
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461214
N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699469
2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 43957462
N-(4-fluorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562631
N-(2,5-dimethylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562717

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 16916712) is N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(OC)cc4OC)nn3)s2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JKXOHVRRPPQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S2/c1-15-24(35-25(26-15)16-5-7-17(31-2)8-6-16)20-11-12-23(29-28-20)34-14-22(30)27-19-10-9-18(32-3)13-21(19)33-4/h5-13H,14H2,1-4H3,(H,27,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 508.63 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).