1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one

C9H11N3O2S — CID 135150525

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one
SMILESCCc1nsc(N2C(=O)C=C(C)C2O)n1
InChIInChI=1S/C9H11N3O2S/c1-3-6-10-9(15-11-6)12-7(13)4-5(2)8(12)14/h4,8,14H,3H2,1-2H3
InChIKeyFIJZELLPQCYBFK-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.71
Rot. Bonds2

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one (PubChem CID 135150525) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one
PubChem CID135150525
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one
SMILESCCc1nsc(N2C(=O)C=C(C)C2O)n1
InChIInChI=1S/C9H11N3O2S/c1-3-6-10-9(15-11-6)12-7(13)4-5(2)8(12)14/h4,8,14H,3H2,1-2H3
InChIKeyFIJZELLPQCYBFK-UHFFFAOYSA-N
XLogP0.71
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one (CID 135150525) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one is CCc1nsc(N2C(=O)C=C(C)C2O)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The InChIKey is FIJZELLPQCYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-3-6-10-9(15-11-6)12-7(13)4-5(2)8(12)14/h4,8,14H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one has a molecular weight of 225.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135150525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).