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

C6H8F3N3S — CID 65268635

IUPACN-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CC(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3S/c1-2-10-5-11-4(12-13-5)3-6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyWVBFIPSAICDCPC-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.07
Rot. Bonds3

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

N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268635) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268635
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CC(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3S/c1-2-10-5-11-4(12-13-5)3-6(7,8)9/h2-3H2,1H3,(H,10,11,12)
InChIKeyWVBFIPSAICDCPC-UHFFFAOYSA-N
XLogP2.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 65268635) is N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CC(F)(F)F)ns1.
What is the InChIKey of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WVBFIPSAICDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-2-10-5-11-4(12-13-5)3-6(7,8)9/h2-3H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).