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

C11H16N2O3S — CID 79668919

IUPAC2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCN1CCOC(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C11H16N2O3S/c1-2-3-13-4-5-16-8(7-13)10-12-6-9(17-10)11(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyDQOFYDYDOAWAMQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.62
Rot. Bonds4

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

2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 79668919) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID79668919
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCN1CCOC(c2ncc(C(=O)O)s2)C1
InChIInChI=1S/C11H16N2O3S/c1-2-3-13-4-5-16-8(7-13)10-12-6-9(17-10)11(14)15/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyDQOFYDYDOAWAMQ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (CID 79668919) is 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is CCCN1CCOC(c2ncc(C(=O)O)s2)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DQOFYDYDOAWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-13-4-5-16-8(7-13)10-12-6-9(17-10)11(14)15/h6,8H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79668919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).