ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

C12H18N2O3S — CID 126482329

IUPACethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1N1CCOCC1
InChIInChI=1S/C12H18N2O3S/c1-3-9-13-10(12(15)17-4-2)11(18-9)14-5-7-16-8-6-14/h3-8H2,1-2H3
InChIKeyNGZFNADUNZXUBB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482329) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482329
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)sc1N1CCOCC1
InChIInChI=1S/C12H18N2O3S/c1-3-9-13-10(12(15)17-4-2)11(18-9)14-5-7-16-8-6-14/h3-8H2,1-2H3
InChIKeyNGZFNADUNZXUBB-UHFFFAOYSA-N
XLogP1.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-2-methylthiazole-4-carboxylate
CID 13329095
US10752598, Example 14
CID 126482862
US11390631, Example 406
CID 126482445
US11390631, Example 335
CID 126482463
US11390631, Example 455
CID 126482627
Methyl 2-bromo-5-morpholinothiazole-4-carboxylate
CID 126482676
US11390631, Example 272
CID 126483334
Ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate dihydrochloride
CID 138006954
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
5-Amino-2-(2-methoxy-ethyl)-thiazole-4-carboxylic acid ethyl ester
CID 68407298
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726179
Methyl 5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726180

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482329) is ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(CC)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is NGZFNADUNZXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-9-13-10(12(15)17-4-2)11(18-9)14-5-7-16-8-6-14/h3-8H2,1-2H3.
What are the key properties of ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).