[(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol

C12H20N2O2S — CID 164641276

IUPAC[(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol
SMILESCc1ncc(CN2C[C@H](CO)OC(C)(C)C2)s1
InChIInChI=1S/C12H20N2O2S/c1-9-13-4-11(17-9)6-14-5-10(7-15)16-12(2,3)8-14/h4,10,15H,5-8H2,1-3H3/t10-/m1/s1
InChIKeyVQZLWRYYFFDTNF-SNVBAGLBSA-N
MW256.37 g/mol
LogP1.42
Rot. Bonds3

About [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol

[(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol (PubChem CID 164641276) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol
PubChem CID164641276
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol
SMILESCc1ncc(CN2C[C@H](CO)OC(C)(C)C2)s1
InChIInChI=1S/C12H20N2O2S/c1-9-13-4-11(17-9)6-14-5-10(7-15)16-12(2,3)8-14/h4,10,15H,5-8H2,1-3H3/t10-/m1/s1
InChIKeyVQZLWRYYFFDTNF-SNVBAGLBSA-N
XLogP1.42
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol (CID 164641276) is [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol is Cc1ncc(CN2C[C@H](CO)OC(C)(C)C2)s1.
What is the InChIKey of [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is VQZLWRYYFFDTNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9-13-4-11(17-9)6-14-5-10(7-15)16-12(2,3)8-14/h4,10,15H,5-8H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol?
[(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 256.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 164641276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).