3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole

C10H7N5O2S — CID 100611843

IUPAC3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cnsn3)n2)ccn1
InChIInChI=1S/C10H7N5O2S/c1-16-8-4-6(2-3-11-8)9-13-10(17-14-9)7-5-12-18-15-7/h2-5H,1H3
InChIKeyZXNXXMPQGZSTCP-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole

3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole (PubChem CID 100611843) has the molecular formula C10H7N5O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole
PubChem CID100611843
Molecular FormulaC10H7N5O2S
Molecular Weight261.27 g/mol
Exact Mass261.03
IUPAC Name3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3cnsn3)n2)ccn1
InChIInChI=1S/C10H7N5O2S/c1-16-8-4-6(2-3-11-8)9-13-10(17-14-9)7-5-12-18-15-7/h2-5H,1H3
InChIKeyZXNXXMPQGZSTCP-UHFFFAOYSA-N
XLogP1.66
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole (CID 100611843) is 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole is COc1cc(-c2noc(-c3cnsn3)n2)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZXNXXMPQGZSTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2S/c1-16-8-4-6(2-3-11-8)9-13-10(17-14-9)7-5-12-18-15-7/h2-5H,1H3.
What are the key properties of 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole?
3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-5-(1,2,5-thiadiazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 100611843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).