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

C14H20N2O3S — CID 106697493

IUPAC5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCCC1CCN(c2nc(C(=O)O)c(C(C)=O)s2)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-4-10-5-7-16(8-6-10)14-15-11(13(18)19)12(20-14)9(2)17/h10H,3-8H2,1-2H3,(H,18,19)
InChIKeyXXEFACCNRGWKTD-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.06
Rot. Bonds5

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

5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106697493) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID106697493
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCCC1CCN(c2nc(C(=O)O)c(C(C)=O)s2)CC1
InChIInChI=1S/C14H20N2O3S/c1-3-4-10-5-7-16(8-6-10)14-15-11(13(18)19)12(20-14)9(2)17/h10H,3-8H2,1-2H3,(H,18,19)
InChIKeyXXEFACCNRGWKTD-UHFFFAOYSA-N
XLogP3.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 106697493) is 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid is CCCC1CCN(c2nc(C(=O)O)c(C(C)=O)s2)CC1.
What is the InChIKey of 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XXEFACCNRGWKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-4-10-5-7-16(8-6-10)14-15-11(13(18)19)12(20-14)9(2)17/h10H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).