(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine

C8H11F3N4S — CID 102986633

IUPAC(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-3-1-2-5(12)4-15/h5H,1-4,12H2/t5-/m1/s1
InChIKeyJECSSFJMAZNWRJ-RXMQYKEDSA-N
MW252.26 g/mol
LogP1.48
Rot. Bonds1

About (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine

(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine (PubChem CID 102986633) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine
PubChem CID102986633
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC Name(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-3-1-2-5(12)4-15/h5H,1-4,12H2/t5-/m1/s1
InChIKeyJECSSFJMAZNWRJ-RXMQYKEDSA-N
XLogP1.48
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine (CID 102986633) is (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine is N[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine?
The InChIKey is JECSSFJMAZNWRJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)6-13-14-7(16-6)15-3-1-2-5(12)4-15/h5H,1-4,12H2/t5-/m1/s1.
What are the key properties of (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine?
(3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine has a molecular weight of 252.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-amine is sourced from PubChem (CID 102986633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).