methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate

C11H16N2O4S — CID 81217436

IUPACmethyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCOC(CO)C2)n1
InChIInChI=1S/C11H16N2O4S/c1-16-10(15)4-8-7-18-11(12-8)13-2-3-17-9(5-13)6-14/h7,9,14H,2-6H2,1H3
InChIKeySKHSTOOIHQGLCK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.06
Rot. Bonds4

About methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate (PubChem CID 81217436) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
PubChem CID81217436
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCOC(CO)C2)n1
InChIInChI=1S/C11H16N2O4S/c1-16-10(15)4-8-7-18-11(12-8)13-2-3-17-9(5-13)6-14/h7,9,14H,2-6H2,1H3
InChIKeySKHSTOOIHQGLCK-UHFFFAOYSA-N
XLogP0.06
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
CID 80576545
ethyl 3-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]propanoate
CID 103488250
methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574515
methyl 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80576427
methyl 2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazol-4-yl]acetate
CID 80576981
methyl 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 90150801
methyl 2-[4-(4-phenyl-1,3-thiazol-2-yl)morpholin-2-yl]acetate
CID 154750161
methyl 2-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
methyl 2-[2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-yl]acetate
CID 168662270
methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
CID 79839516
methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576726
methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575913

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate (CID 81217436) is methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N2CCOC(CO)C2)n1.
What is the InChIKey of methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate?
The InChIKey is SKHSTOOIHQGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-16-10(15)4-8-7-18-11(12-8)13-2-3-17-9(5-13)6-14/h7,9,14H,2-6H2,1H3.
What are the key properties of methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate has a molecular weight of 272.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 81217436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).