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

C9H13N5O2S — CID 46995562

IUPAC4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCN(C)C(=O)C2)s1
InChIInChI=1S/C9H13N5O2S/c1-6-11-12-8(17-6)10-9(16)14-4-3-13(2)7(15)5-14/h3-5H2,1-2H3,(H,10,12,16)
InChIKeyCTHWRPLTQGPDLX-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.15
Rot. Bonds1

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

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide (PubChem CID 46995562) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide
PubChem CID46995562
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC Name4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCN(C)C(=O)C2)s1
InChIInChI=1S/C9H13N5O2S/c1-6-11-12-8(17-6)10-9(16)14-4-3-13(2)7(15)5-14/h3-5H2,1-2H3,(H,10,12,16)
InChIKeyCTHWRPLTQGPDLX-UHFFFAOYSA-N
XLogP0.15
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide (CID 46995562) is 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide is Cc1nnc(NC(=O)N2CCN(C)C(=O)C2)s1.
What is the InChIKey of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide?
The InChIKey is CTHWRPLTQGPDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-6-11-12-8(17-6)10-9(16)14-4-3-13(2)7(15)5-14/h3-5H2,1-2H3,(H,10,12,16).
What are the key properties of 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide?
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 46995562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).