N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C8H14ClN3OS — CID 65277932

IUPACN-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOCCCl)n1
InChIInChI=1S/C8H14ClN3OS/c1-2-7-11-8(14-12-7)10-4-6-13-5-3-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyYXHQUWBNJKAWHN-UHFFFAOYSA-N
MW235.74 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277932) has the molecular formula C8H14ClN3OS and a molecular weight of 235.74 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65277932
Molecular FormulaC8H14ClN3OS
Molecular Weight235.74 g/mol
Exact Mass235.05
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCOCCCl)n1
InChIInChI=1S/C8H14ClN3OS/c1-2-7-11-8(14-12-7)10-4-6-13-5-3-9/h2-6H2,1H3,(H,10,11,12)
InChIKeyYXHQUWBNJKAWHN-UHFFFAOYSA-N
XLogP1.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65277932) is N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCOCCCl)n1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YXHQUWBNJKAWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3OS/c1-2-7-11-8(14-12-7)10-4-6-13-5-3-9/h2-6H2,1H3,(H,10,11,12).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 235.74 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).