methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate

C11H16N2O3S — CID 115423633

IUPACmethyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCC1COCCN1c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-8-6-16-5-4-13(8)11-12-9(7-17-11)10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyNVYAHFVUIVZLFK-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.54
Rot. Bonds3

About methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate

methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115423633) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID115423633
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCC1COCCN1c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-8-6-16-5-4-13(8)11-12-9(7-17-11)10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKeyNVYAHFVUIVZLFK-UHFFFAOYSA-N
XLogP1.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate (CID 115423633) is methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate is CCC1COCCN1c1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is NVYAHFVUIVZLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-8-6-16-5-4-13(8)11-12-9(7-17-11)10(14)15-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).