5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C8H13F3N4S — CID 80607107

IUPAC5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1nnc(NC)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-3-15(5-8(9,10)11)4-6-13-14-7(12-2)16-6/h3-5H2,1-2H3,(H,12,14)
InChIKeyHYEQUGIRJQJXAC-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.96
Rot. Bonds5

About 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607107) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80607107
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC Name5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN(Cc1nnc(NC)s1)CC(F)(F)F
InChIInChI=1S/C8H13F3N4S/c1-3-15(5-8(9,10)11)4-6-13-14-7(12-2)16-6/h3-5H2,1-2H3,(H,12,14)
InChIKeyHYEQUGIRJQJXAC-UHFFFAOYSA-N
XLogP1.96
TPSA41.05 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558
ethane;N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 167491391
2-(4-Methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 3433177
5-methyl-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 65209492
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606721
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-methyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606829
N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606893
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606894
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606940

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80607107) is 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CCN(Cc1nnc(NC)s1)CC(F)(F)F.
What is the InChIKey of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HYEQUGIRJQJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-3-15(5-8(9,10)11)4-6-13-14-7(12-2)16-6/h3-5H2,1-2H3,(H,12,14).
What are the key properties of 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 254.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).