3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine

C6H11N3O2S — CID 142434786

IUPAC3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCOCc1nsc(N)n1
InChIInChI=1S/C6H11N3O2S/c1-10-2-3-11-4-5-8-6(7)12-9-5/h2-4H2,1H3,(H2,7,8,9)
InChIKeyTTWGQFOZGZDVKY-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.28
Rot. Bonds5

About 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine

3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 142434786) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID142434786
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCOCc1nsc(N)n1
InChIInChI=1S/C6H11N3O2S/c1-10-2-3-11-4-5-8-6(7)12-9-5/h2-4H2,1H3,(H2,7,8,9)
InChIKeyTTWGQFOZGZDVKY-UHFFFAOYSA-N
XLogP0.28
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(Methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 21688992
3-(1-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 79616034
3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103473439
3-(Ethoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 135170708
3-(Methoxymethyl)-5-methyl-1,2,4-thiadiazole
CID 142566137
5-(Methoxymethyl)-3-methyl-1,2,4-thiadiazole
CID 142566183
(5-Amino-1,2,4-thiadiazol-3-yl)methyl acetate
CID 174695288
Ethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669131
Methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
CID 176669133
3-(Ethoxymethyl)-5-methoxy-1,2,4-thiadiazole
CID 178822695
5-Methoxy-3-(methoxymethyl)-1,2,4-thiadiazole
CID 178823218
O-[(5-methoxy-1,2,4-thiadiazol-3-yl)methyl]hydroxylamine
CID 178823829

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine (CID 142434786) is 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine is COCCOCc1nsc(N)n1.
What is the InChIKey of 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is TTWGQFOZGZDVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-10-2-3-11-4-5-8-6(7)12-9-5/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 189.24 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 142434786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).