4-(2-methoxyethoxymethyl)thiadiazol-5-amine

C6H11N3O2S — CID 62193194

IUPAC4-(2-methoxyethoxymethyl)thiadiazol-5-amine
SMILESCOCCOCc1nnsc1N
InChIInChI=1S/C6H11N3O2S/c1-10-2-3-11-4-5-6(7)12-9-8-5/h2-4,7H2,1H3
InChIKeyVHYFVPUKVZBPJL-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.28
Rot. Bonds5

About 4-(2-methoxyethoxymethyl)thiadiazol-5-amine

4-(2-methoxyethoxymethyl)thiadiazol-5-amine (PubChem CID 62193194) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxymethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxymethyl)thiadiazol-5-amine
PubChem CID62193194
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC Name4-(2-methoxyethoxymethyl)thiadiazol-5-amine
SMILESCOCCOCc1nnsc1N
InChIInChI=1S/C6H11N3O2S/c1-10-2-3-11-4-5-6(7)12-9-8-5/h2-4,7H2,1H3
InChIKeyVHYFVPUKVZBPJL-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

CID 62193318
CID 62193318
CID 62193833
CID 62193833
CID 66276601
CID 66276601
CID 82007216
CID 82007216
CID 82793333
CID 82793333
CID 82959325
CID 82959325
CID 62187477
CID 62187477
CID 62187814
CID 62187814
CID 62188713
CID 62188713
CID 62190108
CID 62190108
CID 62193056
CID 62193056
CID 62193059
CID 62193059

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxymethyl)thiadiazol-5-amine?
The IUPAC name of 4-(2-methoxyethoxymethyl)thiadiazol-5-amine (CID 62193194) is 4-(2-methoxyethoxymethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(2-methoxyethoxymethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(2-methoxyethoxymethyl)thiadiazol-5-amine is COCCOCc1nnsc1N.
What is the InChIKey of 4-(2-methoxyethoxymethyl)thiadiazol-5-amine?
The InChIKey is VHYFVPUKVZBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-10-2-3-11-4-5-6(7)12-9-8-5/h2-4,7H2,1H3.
What are the key properties of 4-(2-methoxyethoxymethyl)thiadiazol-5-amine?
4-(2-methoxyethoxymethyl)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 4-(2-methoxyethoxymethyl)thiadiazol-5-amine is sourced from PubChem (CID 62193194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).