N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C12H17F3N2OS — CID 133439418

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC1(C)CC(Nc2nc(C(F)(F)F)cs2)C(C)(C)O1
InChIInChI=1S/C12H17F3N2OS/c1-10(2)5-7(11(3,4)18-10)16-9-17-8(6-19-9)12(13,14)15/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyWNEUTVMXLXISQC-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.92
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133439418) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133439418
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC1(C)CC(Nc2nc(C(F)(F)F)cs2)C(C)(C)O1
InChIInChI=1S/C12H17F3N2OS/c1-10(2)5-7(11(3,4)18-10)16-9-17-8(6-19-9)12(13,14)15/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyWNEUTVMXLXISQC-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133439418) is N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC1(C)CC(Nc2nc(C(F)(F)F)cs2)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is WNEUTVMXLXISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-10(2)5-7(11(3,4)18-10)16-9-17-8(6-19-9)12(13,14)15/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 294.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133439418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).