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

C6H10N2OS — CID 135170708

IUPAC3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole
SMILESCCOCc1nsc(C)n1
InChIInChI=1S/C6H10N2OS/c1-3-9-4-6-7-5(2)10-8-6/h3-4H2,1-2H3
InChIKeyOOIJUAYBDODNAZ-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.38
Rot. Bonds3

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

3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole (PubChem CID 135170708) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole
PubChem CID135170708
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole
SMILESCCOCc1nsc(C)n1
InChIInChI=1S/C6H10N2OS/c1-3-9-4-6-7-5(2)10-8-6/h3-4H2,1-2H3
InChIKeyOOIJUAYBDODNAZ-UHFFFAOYSA-N
XLogP1.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.38
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-(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
(5-Methyl-1,2,4-thiadiazol-3-yl)methanol
CID 20649090
(3-Methyl-1,2,4-thiadiazol-5-yl)methyl hydrogen carbonate
CID 57171113

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole (CID 135170708) is 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole is CCOCc1nsc(C)n1.
What is the InChIKey of 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole?
The InChIKey is OOIJUAYBDODNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-9-4-6-7-5(2)10-8-6/h3-4H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole?
3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole has a molecular weight of 158.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 135170708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).