2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate

C6H7F3N4O2S — CID 107305091

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N4O2S/c7-6(8,9)3-12-5(16-13-3)11-1-2-15-4(10)14/h1-2H2,(H2,10,14)(H,11,12,13)
InChIKeyZRNYROPVGYFFJC-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.06
Rot. Bonds4

About 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate (PubChem CID 107305091) has the molecular formula C6H7F3N4O2S and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
PubChem CID107305091
Molecular FormulaC6H7F3N4O2S
Molecular Weight256.21 g/mol
Exact Mass256.02
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N4O2S/c7-6(8,9)3-12-5(16-13-3)11-1-2-15-4(10)14/h1-2H2,(H2,10,14)(H,11,12,13)
InChIKeyZRNYROPVGYFFJC-UHFFFAOYSA-N
XLogP1.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
4-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]phenol
CID 107304807
1-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]imidazole-4-carboxylic acid
CID 107498833
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 114164482
3-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304360

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate (CID 107305091) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate is NC(=O)OCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate?
The InChIKey is ZRNYROPVGYFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2S/c7-6(8,9)3-12-5(16-13-3)11-1-2-15-4(10)14/h1-2H2,(H2,10,14)(H,11,12,13).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate has a molecular weight of 256.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl carbamate is sourced from PubChem (CID 107305091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).