1-(1,3-thiazol-2-yl)pyrazolidin-3-one

C6H7N3OS — CID 13081778

IUPAC1-(1,3-thiazol-2-yl)pyrazolidin-3-one
SMILESO=C1CCN(c2nccs2)N1
InChIInChI=1S/C6H7N3OS/c10-5-1-3-9(8-5)6-7-2-4-11-6/h2,4H,1,3H2,(H,8,10)
InChIKeyOYXLELJKRFVVHN-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.38
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)pyrazolidin-3-one

1-(1,3-thiazol-2-yl)pyrazolidin-3-one (PubChem CID 13081778) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pyrazolidin-3-one
PubChem CID13081778
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name1-(1,3-thiazol-2-yl)pyrazolidin-3-one
SMILESO=C1CCN(c2nccs2)N1
InChIInChI=1S/C6H7N3OS/c10-5-1-3-9(8-5)6-7-2-4-11-6/h2,4H,1,3H2,(H,8,10)
InChIKeyOYXLELJKRFVVHN-UHFFFAOYSA-N
XLogP0.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pyrazolidin-3-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)pyrazolidin-3-one (CID 13081778) is 1-(1,3-thiazol-2-yl)pyrazolidin-3-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pyrazolidin-3-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pyrazolidin-3-one is O=C1CCN(c2nccs2)N1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pyrazolidin-3-one?
The InChIKey is OYXLELJKRFVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c10-5-1-3-9(8-5)6-7-2-4-11-6/h2,4H,1,3H2,(H,8,10).
What are the key properties of 1-(1,3-thiazol-2-yl)pyrazolidin-3-one?
1-(1,3-thiazol-2-yl)pyrazolidin-3-one has a molecular weight of 169.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pyrazolidin-3-one is sourced from PubChem (CID 13081778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).