5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole

C5H8N2OS — CID 142566183

IUPAC5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole
SMILESCOCc1nc(C)ns1
InChIInChI=1S/C5H8N2OS/c1-4-6-5(3-8-2)9-7-4/h3H2,1-2H3
InChIKeyXDVHYFRQBLMLBJ-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.99
Rot. Bonds2

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

5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 142566183) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole
PubChem CID142566183
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole
SMILESCOCc1nc(C)ns1
InChIInChI=1S/C5H8N2OS/c1-4-6-5(3-8-2)9-7-4/h3H2,1-2H3
InChIKeyXDVHYFRQBLMLBJ-UHFFFAOYSA-N
XLogP0.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
CID 11805210
(3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl)methanol
CID 17832025
3-(Methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 21688992
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole
CID 54094790
(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
(3-Methyl-1,2,4-thiadiazol-5-yl)methanol
CID 91647791
5-(Chloromethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
CID 165937608
1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]methanamine hydrochloride
CID 165941380
5-(Bromomethyl)-3-(methoxymethyl)-1,2,4-thiadiazole
CID 165942116
3-[Difluoro(methoxy)methyl]-5-methyl-1,2,4-thiadiazole
CID 148542726
1,2,4-Thiadiazole-5-carbohydrazonic acid, 3-methyl-, ethyl ester
CID 9601412
Methyl 3-cyano-1,2,4-thiadiazole-5-carboximidate
CID 13172354

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole (CID 142566183) is 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole is COCc1nc(C)ns1.
What is the InChIKey of 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is XDVHYFRQBLMLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-4-6-5(3-8-2)9-7-4/h3H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole?
5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 144.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 142566183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).