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

C10H14N2O3S — CID 82191391

IUPAC2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C10H14N2O3S/c13-10(14)8-7-11-9(16-8)1-2-12-3-5-15-6-4-12/h7H,1-6H2,(H,13,14)
InChIKeyWYFRBHLJMUOKTL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.72
Rot. Bonds4

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

2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82191391) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82191391
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C10H14N2O3S/c13-10(14)8-7-11-9(16-8)1-2-12-3-5-15-6-4-12/h7H,1-6H2,(H,13,14)
InChIKeyWYFRBHLJMUOKTL-UHFFFAOYSA-N
XLogP0.72
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid (CID 82191391) is 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CCN2CCOCC2)s1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WYFRBHLJMUOKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c13-10(14)8-7-11-9(16-8)1-2-12-3-5-15-6-4-12/h7H,1-6H2,(H,13,14).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).