1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one

C6H10N2O2S — CID 140973345

IUPAC1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one
SMILESCOC1=NN(CC(C)=O)CS1
InChIInChI=1S/C6H10N2O2S/c1-5(9)3-8-4-11-6(7-8)10-2/h3-4H2,1-2H3
InChIKeyYDMQXLIMNUAUEH-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.50
Rot. Bonds2

About 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one

1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one (PubChem CID 140973345) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one
PubChem CID140973345
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one
SMILESCOC1=NN(CC(C)=O)CS1
InChIInChI=1S/C6H10N2O2S/c1-5(9)3-8-4-11-6(7-8)10-2/h3-4H2,1-2H3
InChIKeyYDMQXLIMNUAUEH-UHFFFAOYSA-N
XLogP0.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-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 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one (CID 140973345) is 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one is COC1=NN(CC(C)=O)CS1.
What is the InChIKey of 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one?
The InChIKey is YDMQXLIMNUAUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-5(9)3-8-4-11-6(7-8)10-2/h3-4H2,1-2H3.
What are the key properties of 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one?
1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one has a molecular weight of 174.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one is sourced from PubChem (CID 140973345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).