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

C10H12FN3O3S — CID 122420974

IUPAC4-fluoro-2-[4-[(Z)-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-QCDXTXTGSA-N
MW273.29 g/mol
LogP2.10
Rot. Bonds2

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

4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 122420974) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID122420974
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name4-fluoro-2-[4-[(Z)-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-QCDXTXTGSA-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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Related Compounds

4-[4-[(E)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 90157530
1-[4-[4-(hydroxyiminomethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 86631243
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
CID 91489837
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 123326617
2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
CID 115088355
ethane;2-[1-[2-methyl-1-(2-methylprop-1-enyl)imidazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 142525850
methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 154715478
2-(1-adamantyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479766
methyl 2-[2-[2-[1-(2-methoxy-2-oxoacetyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2-oxoacetate
CID 23532314
2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 101261624

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 122420974) is 4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-[4-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-[4-[(Z)-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-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is GUDYYPXGWIFMRU-QCDXTXTGSA-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-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-fluoro-2-[4-[(Z)-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-[(Z)-hydroxyiminomethyl]-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 122420974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).