2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine

C10H20N4S — CID 57249921

IUPAC2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine
SMILESCCCCCCN(CC)c1nnc(N)s1
InChIInChI=1S/C10H20N4S/c1-3-5-6-7-8-14(4-2)10-13-12-9(11)15-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyOESFWXJETRTZRP-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.53
Rot. Bonds7

About 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine

2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 57249921) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID57249921
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine
SMILESCCCCCCN(CC)c1nnc(N)s1
InChIInChI=1S/C10H20N4S/c1-3-5-6-7-8-14(4-2)10-13-12-9(11)15-10/h3-8H2,1-2H3,(H2,11,12)
InChIKeyOESFWXJETRTZRP-UHFFFAOYSA-N
XLogP2.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.53
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 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine (CID 57249921) is 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine is CCCCCCN(CC)c1nnc(N)s1.
What is the InChIKey of 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is OESFWXJETRTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-3-5-6-7-8-14(4-2)10-13-12-9(11)15-10/h3-8H2,1-2H3,(H2,11,12).
What are the key properties of 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine?
2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-hexyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 57249921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).