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

C14H20N2O4S — CID 126482627

IUPACethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(O)CCC2)sc1N1CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-2-20-12(17)10-11(16-6-8-19-9-7-16)21-13(15-10)14(18)4-3-5-14/h18H,2-9H2,1H3
InChIKeySIFYODVXSWQPHU-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.53
Rot. Bonds4

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

ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482627) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482627
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(O)CCC2)sc1N1CCOCC1
InChIInChI=1S/C14H20N2O4S/c1-2-20-12(17)10-11(16-6-8-19-9-7-16)21-13(15-10)14(18)4-3-5-14/h18H,2-9H2,1H3
InChIKeySIFYODVXSWQPHU-UHFFFAOYSA-N
XLogP1.53
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US11390631, Example 272
CID 126483334
Ethyl 2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482668
Ethyl 5-morpholin-4-yl-2-[3-(trifluoromethyl)cyclobutyl]-1,3-thiazole-4-carboxylate
CID 135324456
methyl 5-[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(oxetan-3-yl)-1,3-thiazole-4-carboxylate
CID 89725998
Methyl 5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(oxetan-3-yl)-1,3-thiazole-4-carboxylate
CID 89726000
methyl 2-(hydroxymethyl)-5-[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 89726503
Methyl 2-(hydroxymethyl)-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 89726504
Ethyl 2-ethyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482329
Ethyl 2-(2-hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482601
Ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482780
Methyl 2-cyclopropyl-5-morpholinothiazole-4-carboxylate
CID 126482791
Ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482823

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482627) is ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2(O)CCC2)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is SIFYODVXSWQPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-20-12(17)10-11(16-6-8-19-9-7-16)21-13(15-10)14(18)4-3-5-14/h18H,2-9H2,1H3.
What are the key properties of ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).