2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone

C22H24N4O2S2 — CID 16916734

IUPAC2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESCOc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCCCC4)nn3)s2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-15-21(30-22(23-15)16-6-8-17(28-2)9-7-16)18-10-11-19(25-24-18)29-14-20(27)26-12-4-3-5-13-26/h6-11H,3-5,12-14H2,1-2H3
InChIKeyQTHVTJPVVIQTNZ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.69
Rot. Bonds6

About 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone

2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone (PubChem CID 16916734) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
PubChem CID16916734
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone
SMILESCOc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCCCC4)nn3)s2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-15-21(30-22(23-15)16-6-8-17(28-2)9-7-16)18-10-11-19(25-24-18)29-14-20(27)26-12-4-3-5-13-26/h6-11H,3-5,12-14H2,1-2H3
InChIKeyQTHVTJPVVIQTNZ-UHFFFAOYSA-N
XLogP4.69
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916764
N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916774
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712
N-(3-acetylphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916753
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
1-(4-methylphenyl)-2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylethanone
CID 20900558
1-(azepan-1-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 17422214
N-(2,5-dimethoxyphenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562627
2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 2599448
1-piperidin-1-yl-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylethanone
CID 8699772
N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957473

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone (CID 16916734) is 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone is COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)N4CCCCC4)nn3)s2)cc1.
What is the InChIKey of 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is QTHVTJPVVIQTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-21(30-22(23-15)16-6-8-17(28-2)9-7-16)18-10-11-19(25-24-18)29-14-20(27)26-12-4-3-5-13-26/h6-11H,3-5,12-14H2,1-2H3.
What are the key properties of 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone?
2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 440.59 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 16916734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).