2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide

C10H14N4O2S — CID 54962974

IUPAC2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(NCc1nccs1)C(=O)N1CCNCC1
InChIInChI=1S/C10H14N4O2S/c15-9(13-7-8-12-3-6-17-8)10(16)14-4-1-11-2-5-14/h3,6,11H,1-2,4-5,7H2,(H,13,15)
InChIKeyOCCKMIMLNGKLIO-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.81
Rot. Bonds2

About 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide

2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 54962974) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID54962974
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(NCc1nccs1)C(=O)N1CCNCC1
InChIInChI=1S/C10H14N4O2S/c15-9(13-7-8-12-3-6-17-8)10(16)14-4-1-11-2-5-14/h3,6,11H,1-2,4-5,7H2,(H,13,15)
InChIKeyOCCKMIMLNGKLIO-UHFFFAOYSA-N
XLogP-0.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 54962974) is 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(NCc1nccs1)C(=O)N1CCNCC1.
What is the InChIKey of 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is OCCKMIMLNGKLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-9(13-7-8-12-3-6-17-8)10(16)14-4-1-11-2-5-14/h3,6,11H,1-2,4-5,7H2,(H,13,15).
What are the key properties of 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 254.31 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperazin-1-yl-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 54962974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).