N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide

C11H16F3N5OS — CID 107305337

IUPACN-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)9-17-10(21-18-9)19-5-1-2-7(6-19)8(20)16-4-3-15/h7H,1-6,15H2,(H,16,20)
InChIKeyHDPQUNCWVGVNLC-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.85
Rot. Bonds4

About N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide (PubChem CID 107305337) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
PubChem CID107305337
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC NameN-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C11H16F3N5OS/c12-11(13,14)9-17-10(21-18-9)19-5-1-2-7(6-19)8(20)16-4-3-15/h7H,1-6,15H2,(H,16,20)
InChIKeyHDPQUNCWVGVNLC-UHFFFAOYSA-N
XLogP0.85
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide (CID 107305337) is N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is HDPQUNCWVGVNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c12-11(13,14)9-17-10(21-18-9)19-5-1-2-7(6-19)8(20)16-4-3-15/h7H,1-6,15H2,(H,16,20).
What are the key properties of N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 107305337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).