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

C8H13F3N4S — CID 62181921

IUPAC4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(Cc1nnsc1N)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-2-3-15(5-8(9,10)11)4-6-7(12)16-14-13-6/h2-5,12H2,1H3
InChIKeyPPFKNTJNMSHJHX-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.89
Rot. Bonds5

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

4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62181921) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
PubChem CID62181921
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
SMILESCCCN(Cc1nnsc1N)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-2-3-15(5-8(9,10)11)4-6-7(12)16-14-13-6/h2-5,12H2,1H3
InChIKeyPPFKNTJNMSHJHX-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine (CID 62181921) is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is CCCN(Cc1nnsc1N)CC(F)(F)F.
What is the InChIKey of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is PPFKNTJNMSHJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-2-3-15(5-8(9,10)11)4-6-7(12)16-14-13-6/h2-5,12H2,1H3.
What are the key properties of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine?
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 254.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62181921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).