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

C10H12FN3O3S — CID 122420975

IUPAC4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)CC1c1nc(/C=N/O)cs1
InChIInChI=1S/C10H12FN3O3S/c11-6-1-2-14(10(15)16)8(3-6)9-13-7(4-12-17)5-18-9/h4-6,8,17H,1-3H2,(H,15,16)/b12-4+
InChIKeyGUDYYPXGWIFMRU-UUILKARUSA-N
MW273.29 g/mol
LogP2.10
Rot. Bonds2

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

4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 122420975) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID122420975
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(F)CC1c1nc(/C=N/O)cs1
InChIInChI=1S/C10H12FN3O3S/c11-6-1-2-14(10(15)16)8(3-6)9-13-7(4-12-17)5-18-9/h4-6,8,17H,1-3H2,(H,15,16)/b12-4+
InChIKeyGUDYYPXGWIFMRU-UUILKARUSA-N
XLogP2.10
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 122420975) is 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(F)CC1c1nc(/C=N/O)cs1.
What is the InChIKey of 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is GUDYYPXGWIFMRU-UUILKARUSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c11-6-1-2-14(10(15)16)8(3-6)9-13-7(4-12-17)5-18-9/h4-6,8,17H,1-3H2,(H,15,16)/b12-4+.
What are the key properties of 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 122420975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).