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

C7H9BrN4OS — CID 64622451

IUPAC4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1nnc(Br)s1
InChIInChI=1S/C7H9BrN4OS/c1-4-5(13)9-2-3-12(4)7-11-10-6(8)14-7/h4H,2-3H2,1H3,(H,9,13)
InChIKeyUEGXPPJHEIGOHM-UHFFFAOYSA-N
MW277.15 g/mol
LogP0.63
Rot. Bonds1

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

4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one (PubChem CID 64622451) has the molecular formula C7H9BrN4OS and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one
PubChem CID64622451
Molecular FormulaC7H9BrN4OS
Molecular Weight277.15 g/mol
Exact Mass275.97
IUPAC Name4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1c1nnc(Br)s1
InChIInChI=1S/C7H9BrN4OS/c1-4-5(13)9-2-3-12(4)7-11-10-6(8)14-7/h4H,2-3H2,1H3,(H,9,13)
InChIKeyUEGXPPJHEIGOHM-UHFFFAOYSA-N
XLogP0.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 50.63
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-methylpiperazin-2-one?
The IUPAC name of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one (CID 64622451) is 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1c1nnc(Br)s1.
What is the InChIKey of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one?
The InChIKey is UEGXPPJHEIGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4OS/c1-4-5(13)9-2-3-12(4)7-11-10-6(8)14-7/h4H,2-3H2,1H3,(H,9,13).
What are the key properties of 4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one?
4-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpiperazin-2-one has a molecular weight of 277.15 g/mol, XLogP of 0.63, 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-methylpiperazin-2-one is sourced from PubChem (CID 64622451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).