4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one

C5H6N4O2S — CID 168704178

IUPAC4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nnns1
InChIInChI=1S/C5H6N4O2S/c10-3-1-4(11)9(2-3)5-6-7-8-12-5/h3,10H,1-2H2
InChIKeyVOTCANPCEDXFJR-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.97
Rot. Bonds1

About 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one

4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one (PubChem CID 168704178) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one
PubChem CID168704178
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Name4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nnns1
InChIInChI=1S/C5H6N4O2S/c10-3-1-4(11)9(2-3)5-6-7-8-12-5/h3,10H,1-2H2
InChIKeyVOTCANPCEDXFJR-UHFFFAOYSA-N
XLogP-0.97
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one (CID 168704178) is 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one is O=C1CC(O)CN1c1nnns1.
What is the InChIKey of 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one?
The InChIKey is VOTCANPCEDXFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c10-3-1-4(11)9(2-3)5-6-7-8-12-5/h3,10H,1-2H2.
What are the key properties of 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one?
4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one has a molecular weight of 186.20 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(thiatriazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168704178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).