4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine

C11H16F3N3OS — CID 103363228

IUPAC4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCCOc1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3OS/c1-2-18-8-9(15)16-19-10(8)17-5-3-4-7(6-17)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16)
InChIKeyPJVVVVLMBBUEAR-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.90
Rot. Bonds3

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

4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103363228) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103363228
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCCOc1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H16F3N3OS/c1-2-18-8-9(15)16-19-10(8)17-5-3-4-7(6-17)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16)
InChIKeyPJVVVVLMBBUEAR-UHFFFAOYSA-N
XLogP2.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103363228) is 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is CCOc1c(N)nsc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is PJVVVVLMBBUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-2-18-8-9(15)16-19-10(8)17-5-3-4-7(6-17)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16).
What are the key properties of 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 295.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103363228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).