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

C11H13N3O2S — CID 135150503

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2nc(C3CC3)ns2)C1=O
InChIInChI=1S/C11H13N3O2S/c1-5-6(2)10(16)14(9(5)15)11-12-8(13-17-11)7-3-4-7/h7,9,15H,3-4H2,1-2H3
InChIKeyPVTSJEHJMLLLSM-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.42
Rot. Bonds2

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 135150503) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID135150503
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2nc(C3CC3)ns2)C1=O
InChIInChI=1S/C11H13N3O2S/c1-5-6(2)10(16)14(9(5)15)11-12-8(13-17-11)7-3-4-7/h7,9,15H,3-4H2,1-2H3
InChIKeyPVTSJEHJMLLLSM-UHFFFAOYSA-N
XLogP1.42
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (CID 135150503) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is CC1=C(C)C(O)N(c2nc(C3CC3)ns2)C1=O.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is PVTSJEHJMLLLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-5-6(2)10(16)14(9(5)15)11-12-8(13-17-11)7-3-4-7/h7,9,15H,3-4H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 251.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 135150503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).