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

C10H13N3O2S — CID 135164334

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCCc1nsc(N2C(=O)C(C)=C(C)C2O)n1
InChIInChI=1S/C10H13N3O2S/c1-4-7-11-10(16-12-7)13-8(14)5(2)6(3)9(13)15/h8,14H,4H2,1-3H3
InChIKeyUQKKSUQBLCOAOF-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.10
Rot. Bonds2

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

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 135164334) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID135164334
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCCc1nsc(N2C(=O)C(C)=C(C)C2O)n1
InChIInChI=1S/C10H13N3O2S/c1-4-7-11-10(16-12-7)13-8(14)5(2)6(3)9(13)15/h8,14H,4H2,1-3H3
InChIKeyUQKKSUQBLCOAOF-UHFFFAOYSA-N
XLogP1.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.10
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-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (CID 135164334) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is CCc1nsc(N2C(=O)C(C)=C(C)C2O)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is UQKKSUQBLCOAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-4-7-11-10(16-12-7)13-8(14)5(2)6(3)9(13)15/h8,14H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 239.30 g/mol, XLogP of 1.10, 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-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 135164334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).