N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine

C11H22N4S — CID 125423962

IUPACN-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCc1nsc(NCCNC(CC)CC)n1
InChIInChI=1S/C11H22N4S/c1-4-9(5-2)12-7-8-13-11-14-10(6-3)15-16-11/h9,12H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyQLGPUQCNEKVCEU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.29
Rot. Bonds8

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

N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 125423962) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID125423962
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCc1nsc(NCCNC(CC)CC)n1
InChIInChI=1S/C11H22N4S/c1-4-9(5-2)12-7-8-13-11-14-10(6-3)15-16-11/h9,12H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyQLGPUQCNEKVCEU-UHFFFAOYSA-N
XLogP2.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine (CID 125423962) is N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine is CCc1nsc(NCCNC(CC)CC)n1.
What is the InChIKey of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is QLGPUQCNEKVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-9(5-2)12-7-8-13-11-14-10(6-3)15-16-11/h9,12H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine?
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 125423962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).