5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

C8H10N4O2S — CID 140960532

IUPAC5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN(C)c1ccn(C2=CC(=O)NS2=O)n1
InChIInChI=1S/C8H10N4O2S/c1-11(2)6-3-4-12(9-6)8-5-7(13)10-15(8)14/h3-5H,1-2H3,(H,10,13)
InChIKeyJPUDEIUGDSSXKP-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.46
Rot. Bonds2

About 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960532) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960532
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN(C)c1ccn(C2=CC(=O)NS2=O)n1
InChIInChI=1S/C8H10N4O2S/c1-11(2)6-3-4-12(9-6)8-5-7(13)10-15(8)14/h3-5H,1-2H3,(H,10,13)
InChIKeyJPUDEIUGDSSXKP-UHFFFAOYSA-N
XLogP-0.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960532) is 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is CN(C)c1ccn(C2=CC(=O)NS2=O)n1.
What is the InChIKey of 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is JPUDEIUGDSSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-11(2)6-3-4-12(9-6)8-5-7(13)10-15(8)14/h3-5H,1-2H3,(H,10,13).
What are the key properties of 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 226.26 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).