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

C6H10N2OS2 — CID 135170700

IUPAC3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole
SMILESCOCCSc1nsc(C)n1
InChIInChI=1S/C6H10N2OS2/c1-5-7-6(8-11-5)10-4-3-9-2/h3-4H2,1-2H3
InChIKeyUYWLRDPTBXAXKY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.59
Rot. Bonds4

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

3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole (PubChem CID 135170700) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole
PubChem CID135170700
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole
SMILESCOCCSc1nsc(C)n1
InChIInChI=1S/C6H10N2OS2/c1-5-7-6(8-11-5)10-4-3-9-2/h3-4H2,1-2H3
InChIKeyUYWLRDPTBXAXKY-UHFFFAOYSA-N
XLogP1.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-[2-(trifluoromethoxy)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170697
5-Methyl-3-[2-(1,1,2,2,2-pentafluoroethoxy)ethylsulfanyl]-1,2,4-thiadiazole
CID 135170711
5-Ethyl-3-[2-(trifluoromethoxy)ethylsulfanyl]-1,2,4-thiadiazole
CID 155406623
(5-Ethoxy-1,2,4-thiadiazol-3-yl)methanethiol
CID 20623938
3-Ethylsulfanyl-5-methyl-1,2,4-thiadiazole
CID 21052294
5-Methyl-3-(2-methylperoxyprop-2-enylsulfanyl)-1,2,4-thiadiazole
CID 21052344
5-Methyl-3-propan-2-ylsulfanyl-1,2,4-thiadiazole
CID 58663760
Methyl 3-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]propanoate
CID 58752963
S-(5-methyl-1,2,4-thiadiazol-3-yl) ethanethioate
CID 59269331
3-(Ethoxymethylsulfanyl)-5-(iodomethyl)-1,2,4-thiadiazole
CID 89317851
5-Methyl-3-propylsulfanyl-1,2,4-thiadiazole
CID 145509623
3-Ethoxy-5-methyl-1,2,4-thiadiazole
CID 149349626

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole (CID 135170700) is 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole is COCCSc1nsc(C)n1.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole?
The InChIKey is UYWLRDPTBXAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-5-7-6(8-11-5)10-4-3-9-2/h3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole?
3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole has a molecular weight of 190.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 135170700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).