N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine

C6H11N3OS — CID 65271454

IUPACN-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOCCNc1ncns1
InChIInChI=1S/C6H11N3OS/c1-2-10-4-3-7-6-8-5-9-11-6/h5H,2-4H2,1H3,(H,7,8,9)
InChIKeyJINBNAWKLQMTEK-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.99
Rot. Bonds5

About N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine

N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271454) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271454
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC NameN-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCCOCCNc1ncns1
InChIInChI=1S/C6H11N3OS/c1-2-10-4-3-7-6-8-5-9-11-6/h5H,2-4H2,1H3,(H,7,8,9)
InChIKeyJINBNAWKLQMTEK-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine (CID 65271454) is N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine is CCOCCNc1ncns1.
What is the InChIKey of N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JINBNAWKLQMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-2-10-4-3-7-6-8-5-9-11-6/h5H,2-4H2,1H3,(H,7,8,9).
What are the key properties of N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine?
N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 173.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).