4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

C7H11F3N4S — CID 62184033

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCN(Cc1nnsc1N)CC(F)(F)F
InChIInChI=1S/C7H11F3N4S/c1-2-14(4-7(8,9)10)3-5-6(11)15-13-12-5/h2-4,11H2,1H3
InChIKeyUROMGJBSZOIUTO-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.50
Rot. Bonds4

About 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62184033) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID62184033
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCN(Cc1nnsc1N)CC(F)(F)F
InChIInChI=1S/C7H11F3N4S/c1-2-14(4-7(8,9)10)3-5-6(11)15-13-12-5/h2-4,11H2,1H3
InChIKeyUROMGJBSZOIUTO-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 62184033) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is CCN(Cc1nnsc1N)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is UROMGJBSZOIUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-2-14(4-7(8,9)10)3-5-6(11)15-13-12-5/h2-4,11H2,1H3.
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 240.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62184033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).