1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid

C16H16N2O3S — CID 119349205

IUPAC1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H16N2O3S/c19-15(18-8-6-12(7-9-18)16(20)21)14-10-13(17-22-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,20,21)
InChIKeyXIMYNIRISYHGQL-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.75
Rot. Bonds3

About 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid

1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119349205) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID119349205
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C16H16N2O3S/c19-15(18-8-6-12(7-9-18)16(20)21)14-10-13(17-22-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,20,21)
InChIKeyXIMYNIRISYHGQL-UHFFFAOYSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid (CID 119349205) is 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is XIMYNIRISYHGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-15(18-8-6-12(7-9-18)16(20)21)14-10-13(17-22-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,20,21).
What are the key properties of 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 316.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).