1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one

C6H5N3O2S — CID 140960288

IUPAC1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one
SMILESO=C1C=C(n2cccn2)S(=O)N1
InChIInChI=1S/C6H5N3O2S/c10-5-4-6(12(11)8-5)9-3-1-2-7-9/h1-4H,(H,8,10)
InChIKeyJKTMEMZRPRGIII-UHFFFAOYSA-N
MW183.19 g/mol
LogP-0.52
Rot. Bonds1

About 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one

1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one (PubChem CID 140960288) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one
PubChem CID140960288
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one
SMILESO=C1C=C(n2cccn2)S(=O)N1
InChIInChI=1S/C6H5N3O2S/c10-5-4-6(12(11)8-5)9-3-1-2-7-9/h1-4H,(H,8,10)
InChIKeyJKTMEMZRPRGIII-UHFFFAOYSA-N
XLogP-0.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one (CID 140960288) is 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one is O=C1C=C(n2cccn2)S(=O)N1.
What is the InChIKey of 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one?
The InChIKey is JKTMEMZRPRGIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c10-5-4-6(12(11)8-5)9-3-1-2-7-9/h1-4H,(H,8,10).
What are the key properties of 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one?
1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one has a molecular weight of 183.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-pyrazol-1-yl-1,2-thiazol-3-one is sourced from PubChem (CID 140960288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).