4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one

C10H16N2O2S — CID 103024767

IUPAC4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)c1snnc1C
InChIInChI=1S/C10H16N2O2S/c1-7-9(15-12-11-7)8(13)5-6-10(2,3)14-4/h5-6H2,1-4H3
InChIKeyBIQFNYVOTWSDRV-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.23
Rot. Bonds5

About 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one

4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one (PubChem CID 103024767) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one
PubChem CID103024767
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)c1snnc1C
InChIInChI=1S/C10H16N2O2S/c1-7-9(15-12-11-7)8(13)5-6-10(2,3)14-4/h5-6H2,1-4H3
InChIKeyBIQFNYVOTWSDRV-UHFFFAOYSA-N
XLogP2.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one?
The IUPAC name of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one (CID 103024767) is 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one is COC(C)(C)CCC(=O)c1snnc1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one?
The InChIKey is BIQFNYVOTWSDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-9(15-12-11-7)8(13)5-6-10(2,3)14-4/h5-6H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one?
4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one has a molecular weight of 228.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-one is sourced from PubChem (CID 103024767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).