ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate

C13H20N2O4S — CID 102935993

IUPACethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CC(C)OC(CO)C2)cs1
InChIInChI=1S/C13H20N2O4S/c1-3-18-13(17)12-14-10(8-20-12)5-15-4-9(2)19-11(6-15)7-16/h8-9,11,16H,3-7H2,1-2H3
InChIKeyYEURNMFUYWXMNR-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.90
Rot. Bonds5

About ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate

ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate (PubChem CID 102935993) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate
PubChem CID102935993
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CC(C)OC(CO)C2)cs1
InChIInChI=1S/C13H20N2O4S/c1-3-18-13(17)12-14-10(8-20-12)5-15-4-9(2)19-11(6-15)7-16/h8-9,11,16H,3-7H2,1-2H3
InChIKeyYEURNMFUYWXMNR-UHFFFAOYSA-N
XLogP0.90
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
CID 102935921
ethyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 112628264
7-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 102935481
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 167795930
[6-methyl-4-[(1-methylpyrazol-3-yl)methyl]morpholin-2-yl]methanol
CID 102935937
ethyl 4-propyl-1,3-thiazole-2-carboxylate
CID 62042144
[6-methyl-4-(1,3-thiazol-5-ylmethyl)morpholin-2-yl]methanol
CID 102935669
ethyl N-[1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55651859
methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
CID 97059746
ethyl 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]-1,3-thiazole-2-carboxylate
CID 60507100
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate (CID 102935993) is ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(CN2CC(C)OC(CO)C2)cs1.
What is the InChIKey of ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate?
The InChIKey is YEURNMFUYWXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-18-13(17)12-14-10(8-20-12)5-15-4-9(2)19-11(6-15)7-16/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 102935993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).