2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C10H5ClN4O2S — CID 133384146

IUPAC2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(Oc3ccc(Cl)nc3)nn12
InChIInChI=1S/C10H5ClN4O2S/c11-7-2-1-6(5-13-7)17-10-14-15-8(16)3-4-12-9(15)18-10/h1-5H
InChIKeyWZQZTOUHDGSJBZ-UHFFFAOYSA-N
MW280.70 g/mol
LogP1.99
Rot. Bonds2

About 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133384146) has the molecular formula C10H5ClN4O2S and a molecular weight of 280.70 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133384146
Molecular FormulaC10H5ClN4O2S
Molecular Weight280.70 g/mol
Exact Mass279.98
IUPAC Name2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(Oc3ccc(Cl)nc3)nn12
InChIInChI=1S/C10H5ClN4O2S/c11-7-2-1-6(5-13-7)17-10-14-15-8(16)3-4-12-9(15)18-10/h1-5H
InChIKeyWZQZTOUHDGSJBZ-UHFFFAOYSA-N
XLogP1.99
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133435045
4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
2-[methyl-[(1R,3R)-3-methylcyclohexyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 97312321
2-(2-hydroxyethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 131160530
2-[(6-chloro-3-pyridinyl)oxy]-4-(trifluoromethyl)pyrimidine
CID 133384156
2-chloro-5-(1H-imidazol-2-ylmethoxy)pyridine
CID 130604271
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
4-[(6-chloro-3-pyridinyl)oxy]-1H-triazole-5-carboxylic acid
CID 153390835
7-ethyl-2-(1-methylpyrazol-4-yl)oxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133487311
2-[4-(cyclohexylmethoxy)anilino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133279536
2-[(6-chloro-3-pyridinyl)oxy]-4-(4-fluorophenoxy)pyrimidine
CID 133384150
2-[(5-bromo-3-pyridinyl)oxy]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133315836

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133384146) is 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(Oc3ccc(Cl)nc3)nn12.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WZQZTOUHDGSJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN4O2S/c11-7-2-1-6(5-13-7)17-10-14-15-8(16)3-4-12-9(15)18-10/h1-5H.
What are the key properties of 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 280.70 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)oxy]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133384146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).