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

C11H13N3O3S — CID 80576545

IUPACmethyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C11H13N3O3S/c1-16-10(15)4-8-7-18-11(13-8)14-2-3-17-9(5-12)6-14/h7,9H,2-4,6H2,1H3
InChIKeyBNLJGLJPEOPNLO-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.59
Rot. Bonds3

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

methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 80576545) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
PubChem CID80576545
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Namemethyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C11H13N3O3S/c1-16-10(15)4-8-7-18-11(13-8)14-2-3-17-9(5-12)6-14/h7,9H,2-4,6H2,1H3
InChIKeyBNLJGLJPEOPNLO-UHFFFAOYSA-N
XLogP0.59
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79681623
4-[4-(propylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79680633
4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79681534
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-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576933
2-(2-cyanomorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424826
2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 80572410
methyl 2-[2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80576726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate (CID 80576545) is methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(N2CCOC(C#N)C2)n1.
What is the InChIKey of methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is BNLJGLJPEOPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-16-10(15)4-8-7-18-11(13-8)14-2-3-17-9(5-12)6-14/h7,9H,2-4,6H2,1H3.
What are the key properties of methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 267.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).