2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one

C9H11N3O3S — CID 135150457

IUPAC2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOc1nsc(N2C(=O)C(C)=C(C)C2O)n1
InChIInChI=1S/C9H11N3O3S/c1-4-5(2)7(14)12(6(4)13)9-10-8(15-3)11-16-9/h6,13H,1-3H3
InChIKeySVFYBZMPQDPEOW-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.55
Rot. Bonds2

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

2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 135150457) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID135150457
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one
SMILESCOc1nsc(N2C(=O)C(C)=C(C)C2O)n1
InChIInChI=1S/C9H11N3O3S/c1-4-5(2)7(14)12(6(4)13)9-10-8(15-3)11-16-9/h6,13H,1-3H3
InChIKeySVFYBZMPQDPEOW-UHFFFAOYSA-N
XLogP0.55
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-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 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one (CID 135150457) is 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one is COc1nsc(N2C(=O)C(C)=C(C)C2O)n1.
What is the InChIKey of 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is SVFYBZMPQDPEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-4-5(2)7(14)12(6(4)13)9-10-8(15-3)11-16-9/h6,13H,1-3H3.
What are the key properties of 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one?
2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 241.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 135150457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).