3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine

C9H18N4OS — CID 65267589

IUPAC3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)c1nsc(NCCOC)n1
InChIInChI=1S/C9H18N4OS/c1-4-13(5-2)8-11-9(15-12-8)10-6-7-14-3/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyVUAAWYPAADKFFX-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.44
Rot. Bonds7

About 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine

3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 65267589) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID65267589
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCN(CC)c1nsc(NCCOC)n1
InChIInChI=1S/C9H18N4OS/c1-4-13(5-2)8-11-9(15-12-8)10-6-7-14-3/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyVUAAWYPAADKFFX-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine (CID 65267589) is 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine is CCN(CC)c1nsc(NCCOC)n1.
What is the InChIKey of 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is VUAAWYPAADKFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-4-13(5-2)8-11-9(15-12-8)10-6-7-14-3/h4-7H2,1-3H3,(H,10,11,12).
What are the key properties of 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 230.34 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-5-N-(2-methoxyethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 65267589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).