2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

C26H26N4O2S2 — CID 43957462

IUPAC2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(C(C)C)cc4)nn3)s2)c1
InChIInChI=1S/C26H26N4O2S2/c1-16(2)18-8-10-20(11-9-18)28-23(31)15-33-24-13-12-22(29-30-24)25-17(3)27-26(34-25)19-6-5-7-21(14-19)32-4/h5-14,16H,15H2,1-4H3,(H,28,31)
InChIKeyBTWZBUXNAWYFJQ-UHFFFAOYSA-N
MW490.65 g/mol
LogP6.44
Rot. Bonds8

About 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 43957462) has the molecular formula C26H26N4O2S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID43957462
Molecular FormulaC26H26N4O2S2
Molecular Weight490.65 g/mol
Exact Mass490.15
IUPAC Name2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(C(C)C)cc4)nn3)s2)c1
InChIInChI=1S/C26H26N4O2S2/c1-16(2)18-8-10-20(11-9-18)28-23(31)15-33-24-13-12-22(29-30-24)25-17(3)27-26(34-25)19-6-5-7-21(14-19)32-4/h5-14,16H,15H2,1-4H3,(H,28,31)
InChIKeyBTWZBUXNAWYFJQ-UHFFFAOYSA-N
XLogP6.44
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562631
N-(1,3-benzodioxol-5-yl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562630
N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957473
N-(2,5-dimethoxyphenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562627
N-(4-fluoro-3-nitrophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562647
N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916774
N-(3-acetylphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916753
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712
N-(3,5-dimethoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 18562693
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
N-(3,4-dimethoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916803
N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916887

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide (CID 43957462) is 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide is COc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(C(C)C)cc4)nn3)s2)c1.
What is the InChIKey of 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is BTWZBUXNAWYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S2/c1-16(2)18-8-10-20(11-9-18)28-23(31)15-33-24-13-12-22(29-30-24)25-17(3)27-26(34-25)19-6-5-7-21(14-19)32-4/h5-14,16H,15H2,1-4H3,(H,28,31).
What are the key properties of 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 490.65 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43957462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).