3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one

C9H12N4O2S — CID 63601362

IUPAC3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cnsn1
InChIInChI=1S/C9H12N4O2S/c1-2-7-8(14)10-3-4-13(7)9(15)6-5-11-16-12-6/h5,7H,2-4H2,1H3,(H,10,14)
InChIKeyANCYSMCIEKATGN-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.11
Rot. Bonds2

About 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one

3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one (PubChem CID 63601362) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
PubChem CID63601362
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cnsn1
InChIInChI=1S/C9H12N4O2S/c1-2-7-8(14)10-3-4-13(7)9(15)6-5-11-16-12-6/h5,7H,2-4H2,1H3,(H,10,14)
InChIKeyANCYSMCIEKATGN-UHFFFAOYSA-N
XLogP-0.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one (CID 63601362) is 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cnsn1.
What is the InChIKey of 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
The InChIKey is ANCYSMCIEKATGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-2-7-8(14)10-3-4-13(7)9(15)6-5-11-16-12-6/h5,7H,2-4H2,1H3,(H,10,14).
What are the key properties of 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one?
3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one has a molecular weight of 240.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63601362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).