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

C11H15N3O2S — CID 135150466

IUPAC2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCCCc1nsc(N2C(=O)C(C)=C(C)C2O)n1
InChIInChI=1S/C11H15N3O2S/c1-4-5-8-12-11(17-13-8)14-9(15)6(2)7(3)10(14)16/h9,15H,4-5H2,1-3H3
InChIKeyFQKZIHWBKKTFBR-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.49
Rot. Bonds3

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

2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (PubChem CID 135150466) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
PubChem CID135150466
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCCCc1nsc(N2C(=O)C(C)=C(C)C2O)n1
InChIInChI=1S/C11H15N3O2S/c1-4-5-8-12-11(17-13-8)14-9(15)6(2)7(3)10(14)16/h9,15H,4-5H2,1-3H3
InChIKeyFQKZIHWBKKTFBR-UHFFFAOYSA-N
XLogP1.49
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (CID 135150466) is 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is CCCc1nsc(N2C(=O)C(C)=C(C)C2O)n1.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The InChIKey is FQKZIHWBKKTFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-4-5-8-12-11(17-13-8)14-9(15)6(2)7(3)10(14)16/h9,15H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one has a molecular weight of 253.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 135150466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).