3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one

C12H18N4O2S — CID 65210016

IUPAC3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCCCc1nnsc1C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H18N4O2S/c1-3-5-8-10(19-15-14-8)12(18)16-7-6-13-11(17)9(16)4-2/h9H,3-7H2,1-2H3,(H,13,17)
InChIKeyDXZJKAQWENCPPY-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.84
Rot. Bonds4

About 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one

3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one (PubChem CID 65210016) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
PubChem CID65210016
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCCCc1nnsc1C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H18N4O2S/c1-3-5-8-10(19-15-14-8)12(18)16-7-6-13-11(17)9(16)4-2/h9H,3-7H2,1-2H3,(H,13,17)
InChIKeyDXZJKAQWENCPPY-UHFFFAOYSA-N
XLogP0.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one (CID 65210016) is 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one is CCCc1nnsc1C(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one?
The InChIKey is DXZJKAQWENCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-5-8-10(19-15-14-8)12(18)16-7-6-13-11(17)9(16)4-2/h9H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one?
3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one has a molecular weight of 282.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-propylthiadiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 65210016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).