N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

C9H18N4OS — CID 83039936

IUPACN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCc1nsc(NCCNCCOC)n1
InChIInChI=1S/C9H18N4OS/c1-3-8-12-9(15-13-8)11-5-4-10-6-7-14-2/h10H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyITHKEZPXPGISES-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.75
Rot. Bonds8

About N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 83039936) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID83039936
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCc1nsc(NCCNCCOC)n1
InChIInChI=1S/C9H18N4OS/c1-3-8-12-9(15-13-8)11-5-4-10-6-7-14-2/h10H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyITHKEZPXPGISES-UHFFFAOYSA-N
XLogP0.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
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 N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 83039936) is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is CCc1nsc(NCCNCCOC)n1.
What is the InChIKey of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is ITHKEZPXPGISES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-3-8-12-9(15-13-8)11-5-4-10-6-7-14-2/h10H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 230.34 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 83039936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).