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

C11H17F3N4S — CID 114448366

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H17F3N4S/c1-2-18-5-3-8(4-6-18)7-15-10-17-16-9(19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyUCUYKMOQKJZCAT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds4

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

N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448366) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448366
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCN1CCC(CNc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H17F3N4S/c1-2-18-5-3-8(4-6-18)7-15-10-17-16-9(19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyUCUYKMOQKJZCAT-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 99699341
5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 131933327
2-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 164637187
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
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-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 178170928
N-Methyl-1-{1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanamine
CID 45594300
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 65209098

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448366) is N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCN1CCC(CNc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UCUYKMOQKJZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-2-18-5-3-8(4-6-18)7-15-10-17-16-9(19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).