4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid

C11H16N2O3S — CID 43664652

IUPAC4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCCC1CN(Cc2csc(C(=O)O)n2)CCO1
InChIInChI=1S/C11H16N2O3S/c1-2-9-6-13(3-4-16-9)5-8-7-17-10(12-8)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyUGECGDNEDADEJF-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.45
Rot. Bonds4

About 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid

4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 43664652) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID43664652
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCCC1CN(Cc2csc(C(=O)O)n2)CCO1
InChIInChI=1S/C11H16N2O3S/c1-2-9-6-13(3-4-16-9)5-8-7-17-10(12-8)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKeyUGECGDNEDADEJF-UHFFFAOYSA-N
XLogP1.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 43664652) is 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid is CCC1CN(Cc2csc(C(=O)O)n2)CCO1.
What is the InChIKey of 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is UGECGDNEDADEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-9-6-13(3-4-16-9)5-8-7-17-10(12-8)11(14)15/h7,9H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).