2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole

C17H17N3S2 — CID 7222560

IUPAC2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
SMILESCc1cccc(CSc2ccc(-c3sc(C)nc3C)nn2)c1
InChIInChI=1S/C17H17N3S2/c1-11-5-4-6-14(9-11)10-21-16-8-7-15(19-20-16)17-12(2)18-13(3)22-17/h4-9H,10H2,1-3H3
InChIKeyWMYHKFXKHBQFOX-UHFFFAOYSA-N
MW327.48 g/mol
LogP4.82
Rot. Bonds4

About 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole

2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole (PubChem CID 7222560) has the molecular formula C17H17N3S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
PubChem CID7222560
Molecular FormulaC17H17N3S2
Molecular Weight327.48 g/mol
Exact Mass327.09
IUPAC Name2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
SMILESCc1cccc(CSc2ccc(-c3sc(C)nc3C)nn2)c1
InChIInChI=1S/C17H17N3S2/c1-11-5-4-6-14(9-11)10-21-16-8-7-15(19-20-16)17-12(2)18-13(3)22-17/h4-9H,10H2,1-3H3
InChIKeyWMYHKFXKHBQFOX-UHFFFAOYSA-N
XLogP4.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-[(4-bromophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
CID 7222622
3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
CID 12006192
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 27461242
5-[6-[(3,5-difluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 121031442
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
5-[6-[(2,5-dimethylphenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 27368804
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
5-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 43957420
5-[6-[(4-chlorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 18562794
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18562616
5-(6-ethylsulfanylpyridazin-3-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 8543475

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole (CID 7222560) is 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole is Cc1cccc(CSc2ccc(-c3sc(C)nc3C)nn2)c1.
What is the InChIKey of 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is WMYHKFXKHBQFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S2/c1-11-5-4-6-14(9-11)10-21-16-8-7-15(19-20-16)17-12(2)18-13(3)22-17/h4-9H,10H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 327.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 7222560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).