3-ethyl-1,3,4-thiadiazol-2-one

C4H6N2OS — CID 54080019

IUPAC3-ethyl-1,3,4-thiadiazol-2-one
SMILESCCn1ncsc1=O
InChIInChI=1S/C4H6N2OS/c1-2-6-4(7)8-3-5-6/h3H,2H2,1H3
InChIKeyMMLDFKBHWFETAF-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.32
Rot. Bonds1

About 3-ethyl-1,3,4-thiadiazol-2-one

3-ethyl-1,3,4-thiadiazol-2-one (PubChem CID 54080019) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-ethyl-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name3-ethyl-1,3,4-thiadiazol-2-one
PubChem CID54080019
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name3-ethyl-1,3,4-thiadiazol-2-one
SMILESCCn1ncsc1=O
InChIInChI=1S/C4H6N2OS/c1-2-6-4(7)8-3-5-6/h3H,2H2,1H3
InChIKeyMMLDFKBHWFETAF-UHFFFAOYSA-N
XLogP0.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3,4-thiadiazol-2-one?
The IUPAC name of 3-ethyl-1,3,4-thiadiazol-2-one (CID 54080019) is 3-ethyl-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 3-ethyl-1,3,4-thiadiazol-2-one?
The canonical SMILES for 3-ethyl-1,3,4-thiadiazol-2-one is CCn1ncsc1=O.
What is the InChIKey of 3-ethyl-1,3,4-thiadiazol-2-one?
The InChIKey is MMLDFKBHWFETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-2-6-4(7)8-3-5-6/h3H,2H2,1H3.
What are the key properties of 3-ethyl-1,3,4-thiadiazol-2-one?
3-ethyl-1,3,4-thiadiazol-2-one has a molecular weight of 130.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 54080019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).