1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

C17H17FN2O3S — CID 119166749

IUPAC1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1
InChIInChI=1S/C17H17FN2O3S/c18-13-4-2-1-3-12(13)9-15-19-14(10-24-15)16(21)20-7-5-11(6-8-20)17(22)23/h1-4,10-11H,5-9H2,(H,22,23)
InChIKeyQXSXBWNMZUGINR-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid

1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119166749) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID119166749
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1
InChIInChI=1S/C17H17FN2O3S/c18-13-4-2-1-3-12(13)9-15-19-14(10-24-15)16(21)20-7-5-11(6-8-20)17(22)23/h1-4,10-11H,5-9H2,(H,22,23)
InChIKeyQXSXBWNMZUGINR-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid (CID 119166749) is 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is QXSXBWNMZUGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-13-4-2-1-3-12(13)9-15-19-14(10-24-15)16(21)20-7-5-11(6-8-20)17(22)23/h1-4,10-11H,5-9H2,(H,22,23).
What are the key properties of 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid?
1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).