2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

C13H18N2O3S — CID 39382046

IUPAC2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-8(2)12(16)15-5-3-9(4-6-15)11-14-10(7-19-11)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyFHHQXQMOMVHKIE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.20
Rot. Bonds3

About 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 39382046) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID39382046
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C(=O)N1CCC(c2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C13H18N2O3S/c1-8(2)12(16)15-5-3-9(4-6-15)11-14-10(7-19-11)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyFHHQXQMOMVHKIE-UHFFFAOYSA-N
XLogP2.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid (CID 39382046) is 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid is CC(C)C(=O)N1CCC(c2nc(C(=O)O)cs2)CC1.
What is the InChIKey of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FHHQXQMOMVHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(2)12(16)15-5-3-9(4-6-15)11-14-10(7-19-11)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid?
2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 39382046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).