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

C11H17F3N4S — CID 114449920

IUPACN-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4S/c1-15-6-5-8-4-2-3-7-18(8)10-17-16-9(19-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyXXXPODQLJHKVHM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds4

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

N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine (PubChem CID 114449920) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine
PubChem CID114449920
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine
SMILESCNCCC1CCCCN1c1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4S/c1-15-6-5-8-4-2-3-7-18(8)10-17-16-9(19-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyXXXPODQLJHKVHM-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(bromomethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450324
[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine
CID 114449985
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450318
N-methyl-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-3-yl]methanamine
CID 114450234
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-ol
CID 162534553
2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 107303791
2-tert-butyl-5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazole
CID 133381910
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 65484017
2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-2-yl]-N-methylethanamine
CID 114400539
2-[2-(chloromethyl)azepan-1-yl]-5-methyl-1,3,4-thiadiazole
CID 116638932
[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol
CID 102786812
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133493215

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine (CID 114449920) is N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine is CNCCC1CCCCN1c1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine?
The InChIKey is XXXPODQLJHKVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-15-6-5-8-4-2-3-7-18(8)10-17-16-9(19-10)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine?
N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine has a molecular weight of 294.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 114449920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).