2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid

C10H14N2O3S — CID 79666913

IUPAC2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C10H14N2O3S/c1-2-12-3-4-15-7(6-12)9-11-5-8(16-9)10(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyGNFHXOYNCIZNSI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.23
Rot. Bonds3

About 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid

2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 79666913) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID79666913
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C10H14N2O3S/c1-2-12-3-4-15-7(6-12)9-11-5-8(16-9)10(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyGNFHXOYNCIZNSI-UHFFFAOYSA-N
XLogP1.23
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (CID 79666913) is 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is CCN1CCOC(c2ncc(C(=O)O)s2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GNFHXOYNCIZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-2-12-3-4-15-7(6-12)9-11-5-8(16-9)10(13)14/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79666913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).