(4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate

C13H20N2O3S — CID 97253374

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate
SMILESCCN1CCOC[C@@H]1C(=O)OCc1nc(C)c(C)s1
InChIInChI=1S/C13H20N2O3S/c1-4-15-5-6-17-7-11(15)13(16)18-8-12-14-9(2)10(3)19-12/h11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyJXXUYIAERGILGN-LLVKDONJSA-N
MW284.38 g/mol
LogP1.52
Rot. Bonds4

About (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate

(4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate (PubChem CID 97253374) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate
PubChem CID97253374
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate
SMILESCCN1CCOC[C@@H]1C(=O)OCc1nc(C)c(C)s1
InChIInChI=1S/C13H20N2O3S/c1-4-15-5-6-17-7-11(15)13(16)18-8-12-14-9(2)10(3)19-12/h11H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyJXXUYIAERGILGN-LLVKDONJSA-N
XLogP1.52
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate (CID 97253374) is (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate is CCN1CCOC[C@@H]1C(=O)OCc1nc(C)c(C)s1.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate?
The InChIKey is JXXUYIAERGILGN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-15-5-6-17-7-11(15)13(16)18-8-12-14-9(2)10(3)19-12/h11H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate?
(4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)methyl (3R)-4-ethylmorpholine-3-carboxylate is sourced from PubChem (CID 97253374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).