5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole

C8H12N2OS — CID 90400216

IUPAC5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole
SMILESCc1nc(C2CCOCC2)ns1
InChIInChI=1S/C8H12N2OS/c1-6-9-8(10-12-6)7-2-4-11-5-3-7/h7H,2-5H2,1H3
InChIKeyHUPZISOLQGQOLH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.74
Rot. Bonds1

About 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole

5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole (PubChem CID 90400216) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole
PubChem CID90400216
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole
SMILESCc1nc(C2CCOCC2)ns1
InChIInChI=1S/C8H12N2OS/c1-6-9-8(10-12-6)7-2-4-11-5-3-7/h7H,2-5H2,1H3
InChIKeyHUPZISOLQGQOLH-UHFFFAOYSA-N
XLogP1.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole (CID 90400216) is 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole is Cc1nc(C2CCOCC2)ns1.
What is the InChIKey of 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole?
The InChIKey is HUPZISOLQGQOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-9-8(10-12-6)7-2-4-11-5-3-7/h7H,2-5H2,1H3.
What are the key properties of 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole?
5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole has a molecular weight of 184.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-4-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 90400216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).