5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid

C13H18N2O4S — CID 106696292

IUPAC5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(C2CN(C(C)C)CCO2)nc1C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-7(2)15-4-5-19-9(6-15)12-14-10(13(17)18)11(20-12)8(3)16/h7,9H,4-6H2,1-3H3,(H,17,18)
InChIKeyHILHZSOXKXNYQK-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.83
Rot. Bonds4

About 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106696292) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106696292
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(C2CN(C(C)C)CCO2)nc1C(=O)O
InChIInChI=1S/C13H18N2O4S/c1-7(2)15-4-5-19-9(6-15)12-14-10(13(17)18)11(20-12)8(3)16/h7,9H,4-6H2,1-3H3,(H,17,18)
InChIKeyHILHZSOXKXNYQK-UHFFFAOYSA-N
XLogP1.83
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid (CID 106696292) is 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(C2CN(C(C)C)CCO2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HILHZSOXKXNYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-7(2)15-4-5-19-9(6-15)12-14-10(13(17)18)11(20-12)8(3)16/h7,9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106696292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).