5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate

C6H3BF4N4OS — CID 11521832

IUPAC5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cnc2sccn2c1=O
InChIInChI=1S/C6H3N4OS.BF4/c7-9-4-3-8-6-10(5(4)11)1-2-12-6;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyKOIWKTAWFOZQBL-UHFFFAOYSA-N
MW265.99 g/mol
LogP2.54
Rot. Bonds

About 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate

5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate (PubChem CID 11521832) has the molecular formula C6H3BF4N4OS and a molecular weight of 265.99 g/mol. Its IUPAC name is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate.

Molecular Properties

Compound Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate
PubChem CID11521832
Molecular FormulaC6H3BF4N4OS
Molecular Weight265.99 g/mol
Exact Mass266.01
IUPAC Name5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cnc2sccn2c1=O
InChIInChI=1S/C6H3N4OS.BF4/c7-9-4-3-8-6-10(5(4)11)1-2-12-6;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyKOIWKTAWFOZQBL-UHFFFAOYSA-N
XLogP2.54
TPSA62.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 89382071
6-[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 82122083
N-methyl-N-(3-methylbutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51078962
N-methyl-N-[(2S)-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94173568
2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 63069932
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107482917
N-methyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47163274
2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 43360368
(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 78975761
(2R)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 107563516
6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 74231506

Frequently Asked Questions

What is the IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate?
The IUPAC name of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate (CID 11521832) is 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate.
What is the SMILES notation for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate?
The canonical SMILES for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate?
The InChIKey is KOIWKTAWFOZQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N4OS.BF4/c7-9-4-3-8-6-10(5(4)11)1-2-12-6;2-1(3,4)5/h1-3H;/q+1;-1.
What are the key properties of 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate?
5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate has a molecular weight of 265.99 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-diazonium tetrafluoroborate is sourced from PubChem (CID 11521832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).