4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine

C13H19F3N2OS — CID 83959702

IUPAC4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCC(C)(C)c1nc(C(F)(F)F)sc1CN1CCOCC1
InChIInChI=1S/C13H19F3N2OS/c1-12(2,3)10-9(8-18-4-6-19-7-5-18)20-11(17-10)13(14,15)16/h4-8H2,1-3H3
InChIKeyYZZKWSVNHHJEDC-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.29
Rot. Bonds2

About 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine

4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine (PubChem CID 83959702) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
PubChem CID83959702
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine
SMILESCC(C)(C)c1nc(C(F)(F)F)sc1CN1CCOCC1
InChIInChI=1S/C13H19F3N2OS/c1-12(2,3)10-9(8-18-4-6-19-7-5-18)20-11(17-10)13(14,15)16/h4-8H2,1-3H3
InChIKeyYZZKWSVNHHJEDC-UHFFFAOYSA-N
XLogP3.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine (CID 83959702) is 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine is CC(C)(C)c1nc(C(F)(F)F)sc1CN1CCOCC1.
What is the InChIKey of 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
The InChIKey is YZZKWSVNHHJEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-12(2,3)10-9(8-18-4-6-19-7-5-18)20-11(17-10)13(14,15)16/h4-8H2,1-3H3.
What are the key properties of 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine?
4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine has a molecular weight of 308.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-tert-butyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 83959702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).