5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine

C10H20N4O2S — CID 82952969

IUPAC5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCOCCN(CCOCC)c1nc(N)ns1
InChIInChI=1S/C10H20N4O2S/c1-3-15-7-5-14(6-8-16-4-2)10-12-9(11)13-17-10/h3-8H2,1-2H3,(H2,11,13)
InChIKeyKYASHDYTSWKXJH-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.00
Rot. Bonds9

About 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine

5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 82952969) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID82952969
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCCOCCN(CCOCC)c1nc(N)ns1
InChIInChI=1S/C10H20N4O2S/c1-3-15-7-5-14(6-8-16-4-2)10-12-9(11)13-17-10/h3-8H2,1-2H3,(H2,11,13)
InChIKeyKYASHDYTSWKXJH-UHFFFAOYSA-N
XLogP1.00
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine (CID 82952969) is 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine is CCOCCN(CCOCC)c1nc(N)ns1.
What is the InChIKey of 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is KYASHDYTSWKXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-15-7-5-14(6-8-16-4-2)10-12-9(11)13-17-10/h3-8H2,1-2H3,(H2,11,13).
What are the key properties of 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 260.36 g/mol, XLogP of 1.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(2-ethoxyethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 82952969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).