6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H5BrN2OS — CID 1417404

IUPAC6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1Br
InChIInChI=1S/C7H5BrN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeyPIHXLKQYDUVAKL-UHFFFAOYSA-N
MW245.10 g/mol
LogP1.83
Rot. Bonds

About 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 1417404) has the molecular formula C7H5BrN2OS and a molecular weight of 245.10 g/mol. Its IUPAC name is 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID1417404
Molecular FormulaC7H5BrN2OS
Molecular Weight245.10 g/mol
Exact Mass243.93
IUPAC Name6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1Br
InChIInChI=1S/C7H5BrN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeyPIHXLKQYDUVAKL-UHFFFAOYSA-N
XLogP1.83
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 1417404) is 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1Br.
What is the InChIKey of 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PIHXLKQYDUVAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3.
What are the key properties of 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 245.10 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 1417404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).