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

C13H20N2O4S — CID 126482601

IUPACethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)O)sc1N1CCOCC1
InChIInChI=1S/C13H20N2O4S/c1-4-19-11(16)9-10(15-5-7-18-8-6-15)20-12(14-9)13(2,3)17/h17H,4-8H2,1-3H3
InChIKeyKOSZJAMWMFURAO-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.38
Rot. Bonds4

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

ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482601) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482601
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)O)sc1N1CCOCC1
InChIInChI=1S/C13H20N2O4S/c1-4-19-11(16)9-10(15-5-7-18-8-6-15)20-12(14-9)13(2,3)17/h17H,4-8H2,1-3H3
InChIKeyKOSZJAMWMFURAO-UHFFFAOYSA-N
XLogP1.38
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

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 2-bromo-5-{[(tert-butoxy)carbonyl](methyl)amino}-1,3-thiazole-4-carboxylate
CID 165921898
methyl 5-[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726366
Methyl 5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726368
Methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 117834216
(R)-2-Ethyl-4-(4-methoxycarbonyl-2-trifluoromethyl-thiazol-5-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 121410120
Methyl 5-[3-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 121410121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482601) is ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(C)(C)O)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is KOSZJAMWMFURAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-19-11(16)9-10(15-5-7-18-8-6-15)20-12(14-9)13(2,3)17/h17H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).