Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 118286094

IUPACmethyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C11H16N2O3S/c1-15-11(14)9-8-12-10(17-9)2-3-13-4-6-16-7-5-13/h8H,2-7H2,1H3
InChIKeyBCCKDNNJOVYDHD-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.80
Rot. Bonds4

About Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate

Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate (PubChem CID 118286094) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound NameMethyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate
PubChem CID118286094
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C11H16N2O3S/c1-15-11(14)9-8-12-10(17-9)2-3-13-4-6-16-7-5-13/h8H,2-7H2,1H3
InChIKeyBCCKDNNJOVYDHD-UHFFFAOYSA-N
XLogP0.80
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate (CID 118286094) is methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(CCN2CCOCC2)s1.
What is the InChIKey of Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is BCCKDNNJOVYDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-15-11(14)9-8-12-10(17-9)2-3-13-4-6-16-7-5-13/h8H,2-7H2,1H3.
What are the key properties of Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate?
Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 118286094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).