(2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C12H19FN2OS — CID 124887506

IUPAC(2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCC[C@@H](F)CN1CCO[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C12H19FN2OS/c1-3-10(13)6-15-4-5-16-11(7-15)12-14-9(2)8-17-12/h8,10-11H,3-7H2,1-2H3/t10-,11-/m1/s1
InChIKeySHQDLTBQFMZJAC-GHMZBOCLSA-N
MW258.36 g/mol
LogP2.57
Rot. Bonds4

About (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

(2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 124887506) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID124887506
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name(2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCC[C@@H](F)CN1CCO[C@@H](c2nc(C)cs2)C1
InChIInChI=1S/C12H19FN2OS/c1-3-10(13)6-15-4-5-16-11(7-15)12-14-9(2)8-17-12/h8,10-11H,3-7H2,1-2H3/t10-,11-/m1/s1
InChIKeySHQDLTBQFMZJAC-GHMZBOCLSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 124887506) is (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is CC[C@@H](F)CN1CCO[C@@H](c2nc(C)cs2)C1.
What is the InChIKey of (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is SHQDLTBQFMZJAC-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-3-10(13)6-15-4-5-16-11(7-15)12-14-9(2)8-17-12/h8,10-11H,3-7H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
(2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 258.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R)-2-fluorobutyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 124887506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).