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

C5H6F3N3S — CID 107304649

IUPACN-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c1-2-9-4-10-3(11-12-4)5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeyYPEUHJOOFNVOGV-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.99
Rot. Bonds2

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

N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304649) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304649
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC NameN-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H6F3N3S/c1-2-9-4-10-3(11-12-4)5(6,7)8/h2H2,1H3,(H,9,10,11)
InChIKeyYPEUHJOOFNVOGV-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-Trifluoroethyl)amino-5-amino-1,2,4-thiadiazole
CID 21298777
N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 103691574
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
N-cyclopropyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304649) is N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YPEUHJOOFNVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-2-9-4-10-3(11-12-4)5(6,7)8/h2H2,1H3,(H,9,10,11).
What are the key properties of N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).