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

C10H13N3O2S — CID 135150508

IUPAC2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(c2nc(C(C)C)ns2)C1O
InChIInChI=1S/C10H13N3O2S/c1-5(2)8-11-10(16-12-8)13-7(14)4-6(3)9(13)15/h4-5,9,15H,1-3H3
InChIKeyKWSIOCQTLXPOET-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.27
Rot. Bonds2

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

2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (PubChem CID 135150508) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
PubChem CID135150508
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(c2nc(C(C)C)ns2)C1O
InChIInChI=1S/C10H13N3O2S/c1-5(2)8-11-10(16-12-8)13-7(14)4-6(3)9(13)15/h4-5,9,15H,1-3H3
InChIKeyKWSIOCQTLXPOET-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (CID 135150508) is 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is CC1=CC(=O)N(c2nc(C(C)C)ns2)C1O.
What is the InChIKey of 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The InChIKey is KWSIOCQTLXPOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5(2)8-11-10(16-12-8)13-7(14)4-6(3)9(13)15/h4-5,9,15H,1-3H3.
What are the key properties of 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one has a molecular weight of 239.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 135150508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).