5-methoxy-3-methyl-1,2,4-thiadiazole

C4H6N2OS — CID 21349938

IUPAC5-methoxy-3-methyl-1,2,4-thiadiazole
SMILESCOc1nc(C)ns1
InChIInChI=1S/C4H6N2OS/c1-3-5-4(7-2)8-6-3/h1-2H3
InChIKeyXNBTYZPCDLSQLP-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.86
Rot. Bonds1

About 5-methoxy-3-methyl-1,2,4-thiadiazole

5-methoxy-3-methyl-1,2,4-thiadiazole (PubChem CID 21349938) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methoxy-3-methyl-1,2,4-thiadiazole
PubChem CID21349938
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name5-methoxy-3-methyl-1,2,4-thiadiazole
SMILESCOc1nc(C)ns1
InChIInChI=1S/C4H6N2OS/c1-3-5-4(7-2)8-6-3/h1-2H3
InChIKeyXNBTYZPCDLSQLP-UHFFFAOYSA-N
XLogP0.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
5-Chloro-3-(methoxymethyl)-1,2,4-thiadiazole
CID 54094790
5-Ethoxy-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 13337753
3-Methyl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 118466199
3-Methyl-5-(2,2,2-trifluoroethoxy)-1,2,4-thiadiazole
CID 126954286
5-(2,2-Difluoroethoxy)-3-methyl-1,2,4-thiadiazole
CID 126954289
3-(Chloromethyl)-5-methoxy-1,2,4-thiadiazole
CID 19832748
3-Methoxy-5-methyl-1,2,4-thiadiazole
CID 58328470
5-Isocyano-3-methyl-1,2,4-thiadiazole
CID 89022061
5-Methoxy-3-propyl-1,2,4-thiadiazole
CID 89142868
5-Ethoxy-3-methyl-1,2,4-thiadiazole
CID 119096458
3-Ethyl-5-methoxy-1,2,4-thiadiazole
CID 139497480

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-methoxy-3-methyl-1,2,4-thiadiazole (CID 21349938) is 5-methoxy-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methoxy-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-methoxy-3-methyl-1,2,4-thiadiazole is COc1nc(C)ns1.
What is the InChIKey of 5-methoxy-3-methyl-1,2,4-thiadiazole?
The InChIKey is XNBTYZPCDLSQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-3-5-4(7-2)8-6-3/h1-2H3.
What are the key properties of 5-methoxy-3-methyl-1,2,4-thiadiazole?
5-methoxy-3-methyl-1,2,4-thiadiazole has a molecular weight of 130.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 21349938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).