2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide

C11H17N5O2S — CID 46994824

IUPAC2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)N(C)CCN1C(=O)Nc1nc(C)ns1
InChIInChI=1S/C11H17N5O2S/c1-4-8-9(17)15(3)5-6-16(8)11(18)13-10-12-7(2)14-19-10/h8H,4-6H2,1-3H3,(H,12,13,14,18)
InChIKeyHMVDUKZZGRTUFX-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.93
Rot. Bonds2

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

2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 46994824) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
PubChem CID46994824
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
SMILESCCC1C(=O)N(C)CCN1C(=O)Nc1nc(C)ns1
InChIInChI=1S/C11H17N5O2S/c1-4-8-9(17)15(3)5-6-16(8)11(18)13-10-12-7(2)14-19-10/h8H,4-6H2,1-3H3,(H,12,13,14,18)
InChIKeyHMVDUKZZGRTUFX-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.93
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-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide (CID 46994824) is 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide is CCC1C(=O)N(C)CCN1C(=O)Nc1nc(C)ns1.
What is the InChIKey of 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is HMVDUKZZGRTUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-8-9(17)15(3)5-6-16(8)11(18)13-10-12-7(2)14-19-10/h8H,4-6H2,1-3H3,(H,12,13,14,18).
What are the key properties of 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide?
2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 46994824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).