(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine

C14H13F3N2OS — CID 95555777

IUPAC(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@H]1CN(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)12-8-19(6-7-20-12)13-18-11(9-21-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t12-/m1/s1
InChIKeyLXOUZHWJHZGPIT-GFCCVEGCSA-N
MW314.33 g/mol
LogP3.58
Rot. Bonds2

About (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine

(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 95555777) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID95555777
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@H]1CN(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)12-8-19(6-7-20-12)13-18-11(9-21-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t12-/m1/s1
InChIKeyLXOUZHWJHZGPIT-GFCCVEGCSA-N
XLogP3.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine (CID 95555777) is (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)[C@H]1CN(c2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is LXOUZHWJHZGPIT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c15-14(16,17)12-8-19(6-7-20-12)13-18-11(9-21-13)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2/t12-/m1/s1.
What are the key properties of (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine?
(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 314.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95555777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).