ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate

C11H15N3O4S — CID 7241275

IUPACethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(=O)N2CCOCC2)c1N
InChIInChI=1S/C11H15N3O4S/c1-2-18-11(16)9-7(12)8(13-19-9)10(15)14-3-5-17-6-4-14/h2-6,12H2,1H3
InChIKeyUJWIXFRBPLSHDS-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.37
Rot. Bonds3

About ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate

ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate (PubChem CID 7241275) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate
PubChem CID7241275
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Nameethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(=O)N2CCOCC2)c1N
InChIInChI=1S/C11H15N3O4S/c1-2-18-11(16)9-7(12)8(13-19-9)10(15)14-3-5-17-6-4-14/h2-6,12H2,1H3
InChIKeyUJWIXFRBPLSHDS-UHFFFAOYSA-N
XLogP0.37
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate (CID 7241275) is ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(C(=O)N2CCOCC2)c1N.
What is the InChIKey of ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate?
The InChIKey is UJWIXFRBPLSHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-2-18-11(16)9-7(12)8(13-19-9)10(15)14-3-5-17-6-4-14/h2-6,12H2,1H3.
What are the key properties of ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate?
ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 7241275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).