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

C21H22N4O3S2 — CID 16916831

IUPAC2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)N3CCOCC3)nn2)s1
InChIInChI=1S/C21H22N4O3S2/c1-14-20(30-21(22-14)15-5-3-4-6-17(15)27-2)16-7-8-18(24-23-16)29-13-19(26)25-9-11-28-12-10-25/h3-8H,9-13H2,1-2H3
InChIKeyOBNUNFVFZKXCPE-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.54
Rot. Bonds6

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

2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 16916831) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID16916831
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC Name2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone
SMILESCOc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)N3CCOCC3)nn2)s1
InChIInChI=1S/C21H22N4O3S2/c1-14-20(30-21(22-14)15-5-3-4-6-17(15)27-2)16-7-8-18(24-23-16)29-13-19(26)25-9-11-28-12-10-25/h3-8H,9-13H2,1-2H3
InChIKeyOBNUNFVFZKXCPE-UHFFFAOYSA-N
XLogP3.54
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-2-yl)-6-pyridazin-4-yl-1H-pyridin-2-one
CID 10318234
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-ethoxyphenyl)acetamide
CID 7207521
N-(2-methoxybenzyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019403
1-[(2R)-2-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25122719
2-((6-(2-Methoxyphenyl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 7206071
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 7207557
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 7222583
N-(4-Ethoxyphenyl)-2-{[6-(4-methyl-2-phenyl-1,3-thiazol-5-YL)pyridazin-3-YL]sulfanyl}acetamide
CID 16019356
N-(3-methoxybenzyl)-2-((6-(4-methyl-2-phenylthiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16019405
2-(2-Methoxyphenyl)-4-methyl-5-(6-((4-(trifluoromethyl)benzyl)thio)pyridazin-3-yl)thiazole
CID 16916846
2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-methoxybenzyl)acetamide
CID 7207559
N-(2-methoxyphenyl)-2-((6-(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)pyridazin-3-yl)thio)acetamide
CID 16916895

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone (CID 16916831) is 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is COc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)N3CCOCC3)nn2)s1.
What is the InChIKey of 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is OBNUNFVFZKXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c1-14-20(30-21(22-14)15-5-3-4-6-17(15)27-2)16-7-8-18(24-23-16)29-13-19(26)25-9-11-28-12-10-25/h3-8H,9-13H2,1-2H3.
What are the key properties of 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone?
2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 442.57 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 16916831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).