N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine

C6H8Cl3N3OS — CID 165466681

IUPACN-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C(Cl)(Cl)Cl)ns1
InChIInChI=1S/C6H8Cl3N3OS/c1-13-3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyFQSJZBSZGGVFNJ-UHFFFAOYSA-N
MW276.58 g/mol
LogP2.42
Rot. Bonds4

About N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 165466681) has the molecular formula C6H8Cl3N3OS and a molecular weight of 276.58 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID165466681
Molecular FormulaC6H8Cl3N3OS
Molecular Weight276.58 g/mol
Exact Mass274.95
IUPAC NameN-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C(Cl)(Cl)Cl)ns1
InChIInChI=1S/C6H8Cl3N3OS/c1-13-3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyFQSJZBSZGGVFNJ-UHFFFAOYSA-N
XLogP2.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.58
LogP ≤ 52.42
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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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
CID 116782404
N-but-2-ynyl-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
CID 130683209
1-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-methoxybutane-1,3-diamine
CID 114163261
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
N-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65334797
3-(ethylsulfanylmethyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267890
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83039936
3-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 113383643
N-(2-methoxyethyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267475
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
CID 65276265
3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65271490

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine (CID 165466681) is N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C(Cl)(Cl)Cl)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FQSJZBSZGGVFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl3N3OS/c1-13-3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12).
What are the key properties of N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 276.58 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 165466681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).