2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C16H17N5O3S — CID 55978389

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2nnc(-c3ccccc3)s2)C(=O)C1=O
InChIInChI=1S/C16H17N5O3S/c1-2-20-8-9-21(15(24)14(20)23)10-12(22)17-16-19-18-13(25-16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,19,22)
InChIKeyIXFOHVBBTWUAGY-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.83
Rot. Bonds5

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 55978389) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID55978389
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2nnc(-c3ccccc3)s2)C(=O)C1=O
InChIInChI=1S/C16H17N5O3S/c1-2-20-8-9-21(15(24)14(20)23)10-12(22)17-16-19-18-13(25-16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,19,22)
InChIKeyIXFOHVBBTWUAGY-UHFFFAOYSA-N
XLogP0.83
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 6468720
CID 6468720
CID 946556
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CID 1399783
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CID 46907692
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CID 654874
CID 654874
CID 663598
CID 663598
CID 1389055
CID 1389055
CID 1392604
CID 1392604
CID 1451458
CID 1451458
CID 4222186
CID 4222186
CID 4976868
CID 4976868
CID 6465295
CID 6465295

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 55978389) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is CCN1CCN(CC(=O)Nc2nnc(-c3ccccc3)s2)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IXFOHVBBTWUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-2-20-8-9-21(15(24)14(20)23)10-12(22)17-16-19-18-13(25-16)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,17,19,22).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 55978389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).