3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C7H13N3OS — CID 65267586

IUPAC3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOC)n1
InChIInChI=1S/C7H13N3OS/c1-3-6-9-7(12-10-6)8-4-5-11-2/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyJYHKUXODQLDAST-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.16
Rot. Bonds5

About 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267586) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267586
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOC)n1
InChIInChI=1S/C7H13N3OS/c1-3-6-9-7(12-10-6)8-4-5-11-2/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyJYHKUXODQLDAST-UHFFFAOYSA-N
XLogP1.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
3-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273980
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273982
3-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274036
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65267586) is 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCOC)n1.
What is the InChIKey of 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JYHKUXODQLDAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-3-6-9-7(12-10-6)8-4-5-11-2/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 187.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).