N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine

C11H17F3N4S — CID 80608520

IUPACN-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C11H17F3N4S/c1-2-15-10-17-16-9(19-10)7-18-5-3-4-8(6-18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyXIQILTCLBLIKED-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608520) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608520
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C11H17F3N4S/c1-2-15-10-17-16-9(19-10)7-18-5-3-4-8(6-18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyXIQILTCLBLIKED-UHFFFAOYSA-N
XLogP2.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
CID 129397609
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 123930227
N-Methyl-1-{1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanamine
CID 45594300
2-(Difluoromethyl)-5-[4-(3-methylbutyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 71968126
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606940
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607000
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607004
N-propyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607634
N-ethyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607735

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80608520) is N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XIQILTCLBLIKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-2-15-10-17-16-9(19-10)7-18-5-3-4-8(6-18)11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).