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

C8H11F3N4S — CID 59323569

IUPACN-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CCNCC2)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-1-3-12-4-2-5/h5,12H,1-4H2,(H,13,15)
InChIKeyDFTPGDUQEMZIIM-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.72
Rot. Bonds2

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

N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 59323569) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID59323569
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC NameN-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NC2CCNCC2)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-1-3-12-4-2-5/h5,12H,1-4H2,(H,13,15)
InChIKeyDFTPGDUQEMZIIM-UHFFFAOYSA-N
XLogP1.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 20567422
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
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
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
trans-(1R,2R)-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1,2-diamine
CID 102738771
(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine
CID 102986633
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488
5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 103688269

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 59323569) is N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NC2CCNCC2)s1.
What is the InChIKey of N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DFTPGDUQEMZIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)6-14-15-7(16-6)13-5-1-3-12-4-2-5/h5,12H,1-4H2,(H,13,15).
What are the key properties of N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 252.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59323569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).