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

C6H8F3N3OS — CID 107304642

IUPACN-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-13-3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyHNNZKGMKYRSAGO-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.62
Rot. Bonds4

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

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304642) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304642
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC NameN-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-13-3-2-10-5-11-4(12-14-5)6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyHNNZKGMKYRSAGO-UHFFFAOYSA-N
XLogP1.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.62
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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Related Compounds

N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
N-(2-methoxyethyl)-3-(trichloromethyl)-1,2,4-thiadiazol-5-amine
CID 165466681
N-(2-methoxyethyl)-3-(3-methoxypentan-3-yl)-1,2,4-thiadiazol-5-amine
CID 116782404
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 114164482
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
CID 107305091
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620
N-(2-ethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305185

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304642) is N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HNNZKGMKYRSAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/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-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.21 g/mol, XLogP of 1.62, 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-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).