4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid

C11H16N2O3S — CID 82227254

IUPAC4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-8-10(11(14)15)17-9(12-8)7-13-3-5-16-6-4-13/h2-7H2,1H3,(H,14,15)
InChIKeyJEWHAZHVZLGELH-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.24
Rot. Bonds4

About 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid

4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82227254) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82227254
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-2-8-10(11(14)15)17-9(12-8)7-13-3-5-16-6-4-13/h2-7H2,1H3,(H,14,15)
InChIKeyJEWHAZHVZLGELH-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 82227254) is 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(CN2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JEWHAZHVZLGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-8-10(11(14)15)17-9(12-8)7-13-3-5-16-6-4-13/h2-7H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).