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

C8H11F3N4S — CID 114449745

IUPACN-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NN2CCCCC2)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-12-13-7(16-6)14-15-4-2-1-3-5-15/h1-5H2,(H,13,14)
InChIKeyIUGAUYWGKDQVFS-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.37
Rot. Bonds2

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

N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449745) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449745
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC NameN-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NN2CCCCC2)s1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-12-13-7(16-6)14-15-4-2-1-3-5-15/h1-5H2,(H,13,14)
InChIKeyIUGAUYWGKDQVFS-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449745) is N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NN2CCCCC2)s1.
What is the InChIKey of N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IUGAUYWGKDQVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)6-12-13-7(16-6)14-15-4-2-1-3-5-15/h1-5H2,(H,13,14).
What are the key properties of N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 252.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).