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

C10H17F3N4S — CID 80606894

IUPACN-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H17F3N4S/c1-4-14-9-16-15-8(18-9)5-17(7(2)3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyVYZSFIOTCIZEQU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.74
Rot. Bonds6

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

N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606894) has the molecular formula C10H17F3N4S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606894
Molecular FormulaC10H17F3N4S
Molecular Weight282.34 g/mol
Exact Mass282.11
IUPAC NameN-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H17F3N4S/c1-4-14-9-16-15-8(18-9)5-17(7(2)3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16)
InChIKeyVYZSFIOTCIZEQU-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.74
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
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
2-(4-Methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 3433177
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
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-[[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 N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606894) is N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VYZSFIOTCIZEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-4-14-9-16-15-8(18-9)5-17(7(2)3)6-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 282.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).