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

C11H17F3N4S — CID 103353530

IUPAC[4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine
SMILESCCC1CCN(c2nnc(C(F)(F)F)s2)C(CN)C1
InChIInChI=1S/C11H17F3N4S/c1-2-7-3-4-18(8(5-7)6-15)10-17-16-9(19-10)11(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyKRWWEQJKHFHFLK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds3

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

[4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine (PubChem CID 103353530) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine
PubChem CID103353530
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name[4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine
SMILESCCC1CCN(c2nnc(C(F)(F)F)s2)C(CN)C1
InChIInChI=1S/C11H17F3N4S/c1-2-7-3-4-18(8(5-7)6-15)10-17-16-9(19-10)11(12,13)14/h7-8H,2-6,15H2,1H3
InChIKeyKRWWEQJKHFHFLK-UHFFFAOYSA-N
XLogP2.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
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-[[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 123540339
[1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]azepan-4-yl]methanamine
CID 123605269
N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 123930227
N-(3-azabicyclo[4.1.0]heptan-4-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 144410130
N-Methyl-1-{1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanamine
CID 45594300
2-(Difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 75499071
N-propyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608339
N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608429
N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608520

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine (CID 103353530) is [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine is CCC1CCN(c2nnc(C(F)(F)F)s2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine?
The InChIKey is KRWWEQJKHFHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-2-7-3-4-18(8(5-7)6-15)10-17-16-9(19-10)11(12,13)14/h7-8H,2-6,15H2,1H3.
What are the key properties of [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine?
[4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine has a molecular weight of 294.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103353530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).