5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole

C6H5N3OS — CID 90400201

IUPAC5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole
SMILESCc1nc(-c2cnco2)ns1
InChIInChI=1S/C6H5N3OS/c1-4-8-6(9-11-4)5-2-7-3-10-5/h2-3H,1H3
InChIKeyRZSVCNBREVKLFA-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.50
Rot. Bonds1

About 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole

5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole (PubChem CID 90400201) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole
PubChem CID90400201
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole
SMILESCc1nc(-c2cnco2)ns1
InChIInChI=1S/C6H5N3OS/c1-4-8-6(9-11-4)5-2-7-3-10-5/h2-3H,1H3
InChIKeyRZSVCNBREVKLFA-UHFFFAOYSA-N
XLogP1.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole?
The IUPAC name of 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole (CID 90400201) is 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole?
The canonical SMILES for 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole is Cc1nc(-c2cnco2)ns1.
What is the InChIKey of 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole?
The InChIKey is RZSVCNBREVKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c1-4-8-6(9-11-4)5-2-7-3-10-5/h2-3H,1H3.
What are the key properties of 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole?
5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole has a molecular weight of 167.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,2,4-thiadiazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 90400201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).