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

C11H17F3N4S — CID 107304809

IUPACN-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCN(CCNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4S/c1-8-2-5-18(6-3-8)7-4-15-10-16-9(17-19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,16,17)
InChIKeyLIACWHIQXJXQDV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds4

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

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304809) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304809
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCN(CCNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4S/c1-8-2-5-18(6-3-8)7-4-15-10-16-9(17-19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,16,17)
InChIKeyLIACWHIQXJXQDV-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

2-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]acetonitrile
CID 86817139
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
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-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 71996486
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 84585888
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127
2,2-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106142608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304809) is N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1CCN(CCNc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LIACWHIQXJXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-8-2-5-18(6-3-8)7-4-15-10-16-9(17-19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-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-[2-(4-methylpiperidin-1-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).