N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine

C6H8Cl3N3OS — CID 21239214

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine
SMILESCCc1nnc(N(O)CC(Cl)(Cl)Cl)s1
InChIInChI=1S/C6H8Cl3N3OS/c1-2-4-10-11-5(14-4)12(13)3-6(7,8)9/h13H,2-3H2,1H3
InChIKeyWSEGSRIDNMMEAB-UHFFFAOYSA-N
MW276.58 g/mol
LogP2.67
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine (PubChem CID 21239214) has the molecular formula C6H8Cl3N3OS and a molecular weight of 276.58 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine
PubChem CID21239214
Molecular FormulaC6H8Cl3N3OS
Molecular Weight276.58 g/mol
Exact Mass274.95
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine
SMILESCCc1nnc(N(O)CC(Cl)(Cl)Cl)s1
InChIInChI=1S/C6H8Cl3N3OS/c1-2-4-10-11-5(14-4)12(13)3-6(7,8)9/h13H,2-3H2,1H3
InChIKeyWSEGSRIDNMMEAB-UHFFFAOYSA-N
XLogP2.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.58
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine (CID 21239214) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine is CCc1nnc(N(O)CC(Cl)(Cl)Cl)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine?
The InChIKey is WSEGSRIDNMMEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl3N3OS/c1-2-4-10-11-5(14-4)12(13)3-6(7,8)9/h13H,2-3H2,1H3.
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine has a molecular weight of 276.58 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2,2,2-trichloroethyl)hydroxylamine is sourced from PubChem (CID 21239214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).