5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one

C6H8N2O3S — CID 19350724

IUPAC5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one
SMILESCOc1nn(CC(C)=O)c(=O)s1
InChIInChI=1S/C6H8N2O3S/c1-4(9)3-8-6(10)12-5(7-8)11-2/h3H2,1-2H3
InChIKeyFSNIHPFPRYJYHH-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.10
Rot. Bonds3

About 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one

5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one (PubChem CID 19350724) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one
PubChem CID19350724
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one
SMILESCOc1nn(CC(C)=O)c(=O)s1
InChIInChI=1S/C6H8N2O3S/c1-4(9)3-8-6(10)12-5(7-8)11-2/h3H2,1-2H3
InChIKeyFSNIHPFPRYJYHH-UHFFFAOYSA-N
XLogP-0.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-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

Related Compounds

1-(5-methoxy-2H-1,3,4-thiadiazol-3-yl)propan-2-one
CID 140973345
3-(2-Oxopropyl)-1,3,4-thiadiazol-2-one
CID 130635192
5-Methyl-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one
CID 130669922
5-Chloro-3-(2-oxobutyl)-1,3,4-thiadiazol-2-one
CID 131084435

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one (CID 19350724) is 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one is COc1nn(CC(C)=O)c(=O)s1.
What is the InChIKey of 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one?
The InChIKey is FSNIHPFPRYJYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-4(9)3-8-6(10)12-5(7-8)11-2/h3H2,1-2H3.
What are the key properties of 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one?
5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one has a molecular weight of 188.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-oxopropyl)-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 19350724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).