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

C10H14N2O3S — CID 11053825

IUPACethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C10H14N2O3S/c1-2-15-9(13)8-7-11-10(16-8)12-3-5-14-6-4-12/h7H,2-6H2,1H3
InChIKeyNWTWDVOAHUEPFP-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.16
Rot. Bonds3

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

ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 11053825) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID11053825
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C10H14N2O3S/c1-2-15-9(13)8-7-11-10(16-8)12-3-5-14-6-4-12/h7H,2-6H2,1H3
InChIKeyNWTWDVOAHUEPFP-UHFFFAOYSA-N
XLogP1.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
2-Amino-thiazole-5-carboxylic acid ethyl ester
CID 314628
Methyl 4-amino-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 2764112
Ethyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9607486
Tert-butyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9633626
2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
2-(Morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 1479770
Ethyl 4-amino-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 22425593
Tert-butyl 2-{[(dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylate
CID 3738801
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
Lithium 2-((2-methoxyethyl)amino)-1,3-thiazole-5-carboxylate
CID 138040570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate (CID 11053825) is ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N2CCOCC2)s1.
What is the InChIKey of ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is NWTWDVOAHUEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-15-9(13)8-7-11-10(16-8)12-3-5-14-6-4-12/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 11053825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).