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

C10H15N3O3S — CID 22425593

IUPACethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C10H15N3O3S/c1-2-16-9(14)7-8(11)12-10(17-7)13-3-5-15-6-4-13/h2-6,11H2,1H3
InChIKeyOCOCJXUIHLTSOL-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.74
Rot. Bonds3

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

ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 22425593) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID22425593
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nameethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C10H15N3O3S/c1-2-16-9(14)7-8(11)12-10(17-7)13-3-5-15-6-4-13/h2-6,11H2,1H3
InChIKeyOCOCJXUIHLTSOL-UHFFFAOYSA-N
XLogP0.74
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate (CID 22425593) is ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OCOCJXUIHLTSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-16-9(14)7-8(11)12-10(17-7)13-3-5-15-6-4-13/h2-6,11H2,1H3.
What are the key properties of ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 22425593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).