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

C7H7N3O2S — CID 135164374

IUPAC2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(c2ncns2)C1O
InChIInChI=1S/C7H7N3O2S/c1-4-2-5(11)10(6(4)12)7-8-3-9-13-7/h2-3,6,12H,1H3
InChIKeyQTNZQRFWZHWEPK-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.15
Rot. Bonds1

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

2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (PubChem CID 135164374) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
PubChem CID135164374
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(c2ncns2)C1O
InChIInChI=1S/C7H7N3O2S/c1-4-2-5(11)10(6(4)12)7-8-3-9-13-7/h2-3,6,12H,1H3
InChIKeyQTNZQRFWZHWEPK-UHFFFAOYSA-N
XLogP0.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.15
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-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (CID 135164374) is 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is CC1=CC(=O)N(c2ncns2)C1O.
What is the InChIKey of 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The InChIKey is QTNZQRFWZHWEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-4-2-5(11)10(6(4)12)7-8-3-9-13-7/h2-3,6,12H,1H3.
What are the key properties of 2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
2-hydroxy-3-methyl-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one has a molecular weight of 197.22 g/mol, XLogP of 0.15, 1 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-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 135164374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).