N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H17F3N4S — CID 107305549

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CC1CCCNC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H17F3N4S/c1-2-18(7-8-4-3-5-15-6-8)10-16-9(17-19-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyKZRPHTRLCIRZEH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.38
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305549) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305549
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCN(CC1CCCNC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H17F3N4S/c1-2-18(7-8-4-3-5-15-6-8)10-16-9(17-19-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyKZRPHTRLCIRZEH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
2-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]acetonitrile
CID 86817139
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 124880274
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597
5-(Piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691755
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305549) is N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCN(CC1CCCNC1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KZRPHTRLCIRZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-2-18(7-8-4-3-5-15-6-8)10-16-9(17-19-10)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 294.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).