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

C14H20N2O3S — CID 126482823

IUPACethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC2)sc1N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c1-2-19-14(17)11-13(16-6-8-18-9-7-16)20-12(15-11)10-4-3-5-10/h10H,2-9H2,1H3
InChIKeyUWNOJYWPQBFDDP-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.42
Rot. Bonds4

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

ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482823) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482823
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC2)sc1N1CCOCC1
InChIInChI=1S/C14H20N2O3S/c1-2-19-14(17)11-13(16-6-8-18-9-7-16)20-12(15-11)10-4-3-5-10/h10H,2-9H2,1H3
InChIKeyUWNOJYWPQBFDDP-UHFFFAOYSA-N
XLogP2.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10752598, Example 14
CID 126482862
US11390631, Example 455
CID 126482627
Methyl 2-bromo-5-morpholinothiazole-4-carboxylate
CID 126482676
US11390631, Example 272
CID 126483334
Ethyl 2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482668
Ethyl 5-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 134461662
Ethyl 5-morpholin-4-yl-2-[3-(trifluoromethyl)cyclobutyl]-1,3-thiazole-4-carboxylate
CID 135324456
Ethane;ethyl 5-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 142552761
ethyl 5-[(2S,3R)-2,3-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 146407097
ethyl 5-[(2S)-2-methylmorpholin-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 153025408
ethyl 5-[(3R)-3-methylmorpholin-4-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 173755519
5-Amino-2-cyclobutyl-thiazole-4-carboxylic acid ethyl ester
CID 68678007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482823) is ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCC2)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is UWNOJYWPQBFDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-19-14(17)11-13(16-6-8-18-9-7-16)20-12(15-11)10-4-3-5-10/h10H,2-9H2,1H3.
What are the key properties of ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).