2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid

C11H14N2O4S — CID 116696729

IUPAC2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCCC1COCCN1C(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c1-2-7-5-17-4-3-13(7)10(14)9-12-8(6-18-9)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyWHLIJRBZSYPKTE-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.09
Rot. Bonds3

About 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696729) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696729
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCCC1COCCN1C(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c1-2-7-5-17-4-3-13(7)10(14)9-12-8(6-18-9)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyWHLIJRBZSYPKTE-UHFFFAOYSA-N
XLogP1.09
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
CID 116698306
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(3-ethylmorpholin-4-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62236149
[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697235
2-(2,3-dimethylthiomorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697506
3-[2-(3-ethylmorpholine-4-carbonyl)thiophen-3-yl]prop-2-enoic acid
CID 77007037
(3-ethylmorpholin-4-yl)-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 62960406

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 116696729) is 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid is CCC1COCCN1C(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is WHLIJRBZSYPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-7-5-17-4-3-13(7)10(14)9-12-8(6-18-9)11(15)16/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).