5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole

C22H18FN3OS2 — CID 43957431

IUPAC5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole
SMILESCOc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccccc3F)nn2)s1
InChIInChI=1S/C22H18FN3OS2/c1-14-21(29-22(24-14)16-8-4-6-10-19(16)27-2)18-11-12-20(26-25-18)28-13-15-7-3-5-9-17(15)23/h3-12H,13H2,1-2H3
InChIKeyCDSGQEOZMNUNAL-UHFFFAOYSA-N
MW423.54 g/mol
LogP6.02
Rot. Bonds6

About 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole

5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole (PubChem CID 43957431) has the molecular formula C22H18FN3OS2 and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole
PubChem CID43957431
Molecular FormulaC22H18FN3OS2
Molecular Weight423.54 g/mol
Exact Mass423.09
IUPAC Name5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole
SMILESCOc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccccc3F)nn2)s1
InChIInChI=1S/C22H18FN3OS2/c1-14-21(29-22(24-14)16-8-4-6-10-19(16)27-2)18-11-12-20(26-25-18)28-13-15-7-3-5-9-17(15)23/h3-12H,13H2,1-2H3
InChIKeyCDSGQEOZMNUNAL-UHFFFAOYSA-N
XLogP6.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.54
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole with MolForge

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Related Compounds

2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16916862
N-(3,4-dimethoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916803
N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16840656
3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
CID 7205808
5-[6-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 18562794
5-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 27368804
5-[6-[(3,5-difluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 121031442
5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 8543475
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
5-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 43957420
N-(2-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 27460923
N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 27461214

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole (CID 43957431) is 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole is COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccccc3F)nn2)s1.
What is the InChIKey of 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole?
The InChIKey is CDSGQEOZMNUNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS2/c1-14-21(29-22(24-14)16-8-4-6-10-19(16)27-2)18-11-12-20(26-25-18)28-13-15-7-3-5-9-17(15)23/h3-12H,13H2,1-2H3.
What are the key properties of 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole?
5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole has a molecular weight of 423.54 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 43957431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).