[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine

C16H17F3N2OS — CID 67323794

IUPAC[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine
SMILESNCC1(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CCOCC1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)12-3-1-11(2-4-12)13-9-23-14(21-13)15(10-20)5-7-22-8-6-15/h1-4,9H,5-8,10,20H2
InChIKeySLVDPSHLOHXTQO-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.84
Rot. Bonds3

About [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine

[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine (PubChem CID 67323794) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine
PubChem CID67323794
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine
SMILESNCC1(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CCOCC1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)12-3-1-11(2-4-12)13-9-23-14(21-13)15(10-20)5-7-22-8-6-15/h1-4,9H,5-8,10,20H2
InChIKeySLVDPSHLOHXTQO-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine 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-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine?
The IUPAC name of [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine (CID 67323794) is [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine is NCC1(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)CCOCC1.
What is the InChIKey of [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine?
The InChIKey is SLVDPSHLOHXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c17-16(18,19)12-3-1-11(2-4-12)13-9-23-14(21-13)15(10-20)5-7-22-8-6-15/h1-4,9H,5-8,10,20H2.
What are the key properties of [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine?
[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine has a molecular weight of 342.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]oxan-4-yl]methanamine is sourced from PubChem (CID 67323794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).