4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole

C20H16N4S2 — CID 20900540

IUPAC4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(SCc2ccccn2)nn1
InChIInChI=1S/C20H16N4S2/c1-14-19(26-20(22-14)15-7-3-2-4-8-15)17-10-11-18(24-23-17)25-13-16-9-5-6-12-21-16/h2-12H,13H2,1H3
InChIKeyVOZCBOJKFMKADP-UHFFFAOYSA-N
MW376.51 g/mol
LogP5.26
Rot. Bonds5

About 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole

4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole (PubChem CID 20900540) has the molecular formula C20H16N4S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole
PubChem CID20900540
Molecular FormulaC20H16N4S2
Molecular Weight376.51 g/mol
Exact Mass376.08
IUPAC Name4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(SCc2ccccn2)nn1
InChIInChI=1S/C20H16N4S2/c1-14-19(26-20(22-14)15-7-3-2-4-8-15)17-10-11-18(24-23-17)25-13-16-9-5-6-12-21-16/h2-12H,13H2,1H3
InChIKeyVOZCBOJKFMKADP-UHFFFAOYSA-N
XLogP5.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole (CID 20900540) is 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1ccc(SCc2ccccn2)nn1.
What is the InChIKey of 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole?
The InChIKey is VOZCBOJKFMKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S2/c1-14-19(26-20(22-14)15-7-3-2-4-8-15)17-10-11-18(24-23-17)25-13-16-9-5-6-12-21-16/h2-12H,13H2,1H3.
What are the key properties of 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole?
4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole has a molecular weight of 376.51 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-[6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 20900540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).