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

C16H24N2O3S — CID 126482780

IUPACethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCCC2)sc1N1CCOCC1
InChIInChI=1S/C16H24N2O3S/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyMFUWCTHAZZUCRK-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.20
Rot. Bonds4

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

ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482780) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482780
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCCC2)sc1N1CCOCC1
InChIInChI=1S/C16H24N2O3S/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3
InChIKeyMFUWCTHAZZUCRK-UHFFFAOYSA-N
XLogP3.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11390631, Example 455
CID 126482627
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
Ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate
CID 23627813
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-propan-2-yl-1,3-thiazole-4-carboxylate
CID 89726067
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
Methyl 2-cyclopropyl-5-morpholinothiazole-4-carboxylate
CID 126482791
Ethyl 2-cyclobutyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482823
1-(2-Cyclohexyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498018
2-Acetyl-5-(4-morpholinyl)-4-thiazolecarboxylic acid ethyl ester
CID 134461219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482780) is ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCCCC2)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is MFUWCTHAZZUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h12H,2-11H2,1H3.
What are the key properties of ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).