(2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine

C15H16F2N2OS — CID 177184100

IUPAC(2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@H](c2nc(-c3ccccc3C(F)F)cs2)O1
InChIInChI=1S/C15H16F2N2OS/c1-9-6-18-7-13(20-9)15-19-12(8-21-15)10-4-2-3-5-11(10)14(16)17/h2-5,8-9,13-14,18H,6-7H2,1H3/t9-,13-/m1/s1
InChIKeyRTCWIQGGCWQGFA-NOZJJQNGSA-N
MW310.37 g/mol
LogP3.80
Rot. Bonds3

About (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine

(2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine (PubChem CID 177184100) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine
PubChem CID177184100
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name(2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine
SMILESC[C@@H]1CNC[C@H](c2nc(-c3ccccc3C(F)F)cs2)O1
InChIInChI=1S/C15H16F2N2OS/c1-9-6-18-7-13(20-9)15-19-12(8-21-15)10-4-2-3-5-11(10)14(16)17/h2-5,8-9,13-14,18H,6-7H2,1H3/t9-,13-/m1/s1
InChIKeyRTCWIQGGCWQGFA-NOZJJQNGSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine?
The IUPAC name of (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine (CID 177184100) is (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine.
What is the SMILES notation for (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine?
The canonical SMILES for (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine is C[C@@H]1CNC[C@H](c2nc(-c3ccccc3C(F)F)cs2)O1.
What is the InChIKey of (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine?
The InChIKey is RTCWIQGGCWQGFA-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-9-6-18-7-13(20-9)15-19-12(8-21-15)10-4-2-3-5-11(10)14(16)17/h2-5,8-9,13-14,18H,6-7H2,1H3/t9-,13-/m1/s1.
What are the key properties of (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine?
(2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine has a molecular weight of 310.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[4-[2-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]-6-methylmorpholine is sourced from PubChem (CID 177184100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).