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

C11H15N3O2S — CID 135150698

IUPAC2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2nc(C(C)C)ns2)C1=O
InChIInChI=1S/C11H15N3O2S/c1-5(2)8-12-11(17-13-8)14-9(15)6(3)7(4)10(14)16/h5,9,15H,1-4H3
InChIKeyZOLUGWPVDPOOBF-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.66
Rot. Bonds2

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

2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (PubChem CID 135150698) 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-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
PubChem CID135150698
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCC1=C(C)C(O)N(c2nc(C(C)C)ns2)C1=O
InChIInChI=1S/C11H15N3O2S/c1-5(2)8-12-11(17-13-8)14-9(15)6(3)7(4)10(14)16/h5,9,15H,1-4H3
InChIKeyZOLUGWPVDPOOBF-UHFFFAOYSA-N
XLogP1.66
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 135164334
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673285
4-chloro-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168687334
4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
CID 168659187
3,5-di(propan-2-yl)-1,2,4-thiadiazole
CID 167579429
S-[5-oxo-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl] ethanethioate
CID 168704766
[3,4-dimethyl-5-oxo-1-(3-propyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-2-yl] methyl carbonate
CID 135150449
1-(3,4-dichlorophenyl)-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
CID 13069714
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776527
3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 79867771
3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butan-2-one
CID 65280720
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65270725

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (CID 135150698) is 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is CC1=C(C)C(O)N(c2nc(C(C)C)ns2)C1=O.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The InChIKey is ZOLUGWPVDPOOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-5(2)8-12-11(17-13-8)14-9(15)6(3)7(4)10(14)16/h5,9,15H,1-4H3.
What are the key properties of 2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
2-hydroxy-3,4-dimethyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one has a molecular weight of 253.33 g/mol, XLogP of 1.66, 2 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-propan-2-yl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 135150698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).