2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C16H19N5O2S — CID 46995702

IUPAC2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCCC1C(=O)N(C)CCN1C(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H19N5O2S/c1-3-12-14(22)20(2)9-10-21(12)16(23)18-15-17-13(19-24-15)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,17,18,19,23)
InChIKeyPLGTTZFYBKETIE-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.29
Rot. Bonds3

About 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 46995702) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID46995702
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCCC1C(=O)N(C)CCN1C(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H19N5O2S/c1-3-12-14(22)20(2)9-10-21(12)16(23)18-15-17-13(19-24-15)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,17,18,19,23)
InChIKeyPLGTTZFYBKETIE-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 46995702) is 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is CCC1C(=O)N(C)CCN1C(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is PLGTTZFYBKETIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-12-14(22)20(2)9-10-21(12)16(23)18-15-17-13(19-24-15)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,17,18,19,23).
What are the key properties of 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46995702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).