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

C11H15F3N4O2S — CID 86843885

IUPAC3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H15F3N4O2S/c1-2-20-7-4-3-5-18(6-7)10(19)15-9-17-16-8(21-9)11(12,13)14/h7H,2-6H2,1H3,(H,15,17,19)
InChIKeyICUYIQZWAVMRDR-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.59
Rot. Bonds3

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

3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 86843885) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID86843885
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H15F3N4O2S/c1-2-20-7-4-3-5-18(6-7)10(19)15-9-17-16-8(21-9)11(12,13)14/h7H,2-6H2,1H3,(H,15,17,19)
InChIKeyICUYIQZWAVMRDR-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 86843885) is 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is CCOC1CCCN(C(=O)Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is ICUYIQZWAVMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-2-20-7-4-3-5-18(6-7)10(19)15-9-17-16-8(21-9)11(12,13)14/h7H,2-6H2,1H3,(H,15,17,19).
What are the key properties of 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 324.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).