2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C6H3Br2N3OS — CID 11529913

IUPAC2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCc1c(Br)c(=O)nc2sc(Br)nn12
InChIInChI=1S/C6H3Br2N3OS/c1-2-3(7)4(12)9-6-11(2)10-5(8)13-6/h1H3
InChIKeySQWBAPJAMBLSFZ-UHFFFAOYSA-N
MW324.99 g/mol
LogP1.98
Rot. Bonds

About 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 11529913) has the molecular formula C6H3Br2N3OS and a molecular weight of 324.99 g/mol. Its IUPAC name is 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID11529913
Molecular FormulaC6H3Br2N3OS
Molecular Weight324.99 g/mol
Exact Mass322.84
IUPAC Name2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCc1c(Br)c(=O)nc2sc(Br)nn12
InChIInChI=1S/C6H3Br2N3OS/c1-2-3(7)4(12)9-6-11(2)10-5(8)13-6/h1H3
InChIKeySQWBAPJAMBLSFZ-UHFFFAOYSA-N
XLogP1.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.99
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 11529913) is 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is Cc1c(Br)c(=O)nc2sc(Br)nn12.
What is the InChIKey of 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is SQWBAPJAMBLSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3OS/c1-2-3(7)4(12)9-6-11(2)10-5(8)13-6/h1H3.
What are the key properties of 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 324.99 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 11529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).