4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid

C15H23N3O3S — CID 69476041

IUPAC4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CC(=O)N2CCC(N)CC2)c(C(=O)O)s1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)14-17-10(12(22-14)13(20)21)8-11(19)18-6-4-9(16)5-7-18/h9H,4-8,16H2,1-3H3,(H,20,21)
InChIKeyLHCRENNFHZALAF-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.63
Rot. Bonds3

About 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid

4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid (PubChem CID 69476041) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid
PubChem CID69476041
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(CC(=O)N2CCC(N)CC2)c(C(=O)O)s1
InChIInChI=1S/C15H23N3O3S/c1-15(2,3)14-17-10(12(22-14)13(20)21)8-11(19)18-6-4-9(16)5-7-18/h9H,4-8,16H2,1-3H3,(H,20,21)
InChIKeyLHCRENNFHZALAF-UHFFFAOYSA-N
XLogP1.63
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid (CID 69476041) is 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(CC(=O)N2CCC(N)CC2)c(C(=O)O)s1.
What is the InChIKey of 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LHCRENNFHZALAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-15(2,3)14-17-10(12(22-14)13(20)21)8-11(19)18-6-4-9(16)5-7-18/h9H,4-8,16H2,1-3H3,(H,20,21).
What are the key properties of 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid?
4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 325.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69476041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).