2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone

C12H12N2OS — CID 105079495

IUPAC2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1ccccc1CC(=O)c1snnc1C
InChIInChI=1S/C12H12N2OS/c1-8-5-3-4-6-10(8)7-11(15)12-9(2)13-14-16-12/h3-6H,7H2,1-2H3
InChIKeyHVQNMDBQFBJDEG-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone

2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 105079495) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID105079495
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCc1ccccc1CC(=O)c1snnc1C
InChIInChI=1S/C12H12N2OS/c1-8-5-3-4-6-10(8)7-11(15)12-9(2)13-14-16-12/h3-6H,7H2,1-2H3
InChIKeyHVQNMDBQFBJDEG-UHFFFAOYSA-N
XLogP2.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 107311606
2-(2-methylphenyl)-1-(thiadiazol-5-yl)ethanone
CID 105079486
2-(4-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanone
CID 105090766
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-[4-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-1-(4-methylthiadiazol-5-yl)ethanone
CID 162156862
4-methyl-5-[(2-methylphenyl)methylsulfonyl]thiadiazole
CID 1485979
2-(2-methylphenyl)acetic acid
CID 67440217
3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116560190
(2-methylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105080193
2-(2-methylphenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803189
1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376814
2-(2-methylphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337311

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone (CID 105079495) is 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone is Cc1ccccc1CC(=O)c1snnc1C.
What is the InChIKey of 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is HVQNMDBQFBJDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-5-3-4-6-10(8)7-11(15)12-9(2)13-14-16-12/h3-6H,7H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 232.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105079495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).