thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone

C12H12N2OS — CID 105105851

IUPACthiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2csnn2)cc1C
InChIInChI=1S/C12H12N2OS/c1-7-4-9(3)10(5-8(7)2)12(15)11-6-16-14-13-11/h4-6H,1-3H3
InChIKeyHFFYPBJHQMIIOS-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.69
Rot. Bonds2

About thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone

thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 105105851) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Namethiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID105105851
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Namethiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2csnn2)cc1C
InChIInChI=1S/C12H12N2OS/c1-7-4-9(3)10(5-8(7)2)12(15)11-6-16-14-13-11/h4-6H,1-3H3
InChIKeyHFFYPBJHQMIIOS-UHFFFAOYSA-N
XLogP2.69
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone (CID 105105851) is thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2csnn2)cc1C.
What is the InChIKey of thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is HFFYPBJHQMIIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-7-4-9(3)10(5-8(7)2)12(15)11-6-16-14-13-11/h4-6H,1-3H3.
What are the key properties of thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone?
thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 232.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 105105851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).