4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one

C8H11BrN4OS — CID 64622243

IUPAC4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nnc(Br)s1
InChIInChI=1S/C8H11BrN4OS/c1-8(2)5(14)10-3-4-13(8)7-12-11-6(9)15-7/h3-4H2,1-2H3,(H,10,14)
InChIKeyWGZVLPCIWAAUFJ-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.02
Rot. Bonds1

About 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one

4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 64622243) has the molecular formula C8H11BrN4OS and a molecular weight of 291.17 g/mol. Its IUPAC name is 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID64622243
Molecular FormulaC8H11BrN4OS
Molecular Weight291.17 g/mol
Exact Mass289.98
IUPAC Name4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nnc(Br)s1
InChIInChI=1S/C8H11BrN4OS/c1-8(2)5(14)10-3-4-13(8)7-12-11-6(9)15-7/h3-4H2,1-2H3,(H,10,14)
InChIKeyWGZVLPCIWAAUFJ-UHFFFAOYSA-N
XLogP1.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one (CID 64622243) is 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1nnc(Br)s1.
What is the InChIKey of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is WGZVLPCIWAAUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4OS/c1-8(2)5(14)10-3-4-13(8)7-12-11-6(9)15-7/h3-4H2,1-2H3,(H,10,14).
What are the key properties of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one?
4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 291.17 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 64622243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).