2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone

C23H19N3OS — CID 162156862

IUPAC2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1ccc(-c2ccccn2)cc1-c1ccc(CC(=O)c2snnc2C)cc1
InChIInChI=1S/C23H19N3OS/c1-15-6-9-19(21-5-3-4-12-24-21)14-20(15)18-10-7-17(8-11-18)13-22(27)23-16(2)25-26-28-23/h3-12,14H,13H2,1-2H3
InChIKeyZLYCWCXPRRKKEL-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.31
Rot. Bonds5

About 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone

2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 162156862) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID162156862
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1ccc(-c2ccccn2)cc1-c1ccc(CC(=O)c2snnc2C)cc1
InChIInChI=1S/C23H19N3OS/c1-15-6-9-19(21-5-3-4-12-24-21)14-20(15)18-10-7-17(8-11-18)13-22(27)23-16(2)25-26-28-23/h3-12,14H,13H2,1-2H3
InChIKeyZLYCWCXPRRKKEL-UHFFFAOYSA-N
XLogP5.31
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone (CID 162156862) is 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone is Cc1ccc(-c2ccccn2)cc1-c1ccc(CC(=O)c2snnc2C)cc1.
What is the InChIKey of 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is ZLYCWCXPRRKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-15-6-9-19(21-5-3-4-12-24-21)14-20(15)18-10-7-17(8-11-18)13-22(27)23-16(2)25-26-28-23/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone?
2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 385.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 162156862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).