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

C9H13F3N4S — CID 107305311

IUPACN-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCNCC2)n1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-5-6-1-3-13-4-2-6/h6,13H,1-5H2,(H,14,15,16)
InChIKeyZJFUWIHEDIBRHQ-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.97
Rot. Bonds3

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

N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305311) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305311
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2CCNCC2)n1
InChIInChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-5-6-1-3-13-4-2-6/h6,13H,1-5H2,(H,14,15,16)
InChIKeyZJFUWIHEDIBRHQ-UHFFFAOYSA-N
XLogP1.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
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
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
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
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-(2-ethylcyclopropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105758902
N-(3-cyclopentylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106012675
N-[(3-aminocyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106126618

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305311) is N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2CCNCC2)n1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZJFUWIHEDIBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c10-9(11,12)7-15-8(17-16-7)14-5-6-1-3-13-4-2-6/h6,13H,1-5H2,(H,14,15,16).
What are the key properties of N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).