4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

C10H13FN2O3S — CID 154126466

IUPAC4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(c2ncc(CO)s2)CC1
InChIInChI=1S/C10H13FN2O3S/c11-10(8-12-5-7(6-14)17-8)1-3-13(4-2-10)9(15)16/h5,14H,1-4,6H2,(H,15,16)
InChIKeyIGCGBIFYKZYOHJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.57
Rot. Bonds2

About 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid

4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 154126466) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID154126466
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)(c2ncc(CO)s2)CC1
InChIInChI=1S/C10H13FN2O3S/c11-10(8-12-5-7(6-14)17-8)1-3-13(4-2-10)9(15)16/h5,14H,1-4,6H2,(H,15,16)
InChIKeyIGCGBIFYKZYOHJ-UHFFFAOYSA-N
XLogP1.57
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 154126466) is 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(F)(c2ncc(CO)s2)CC1.
What is the InChIKey of 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is IGCGBIFYKZYOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c11-10(8-12-5-7(6-14)17-8)1-3-13(4-2-10)9(15)16/h5,14H,1-4,6H2,(H,15,16).
What are the key properties of 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154126466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).