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

C12H18F3N3OS — CID 103363230

IUPAC4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3OS/c1-7(2)19-9-10(16)17-20-11(9)18-5-3-4-8(6-18)12(13,14)15/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyHZTUXFZOHKZNAJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.29
Rot. Bonds3

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

4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103363230) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103363230
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N3OS/c1-7(2)19-9-10(16)17-20-11(9)18-5-3-4-8(6-18)12(13,14)15/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyHZTUXFZOHKZNAJ-UHFFFAOYSA-N
XLogP3.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103363230) is 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is CC(C)Oc1c(N)nsc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is HZTUXFZOHKZNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-7(2)19-9-10(16)17-20-11(9)18-5-3-4-8(6-18)12(13,14)15/h7-8H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 309.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103363230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).