4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

C10H11FN2O3S — CID 87390301

IUPAC4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=Cc1csc(C2(F)CCN(C(=O)O)CC2)n1
InChIInChI=1S/C10H11FN2O3S/c11-10(8-12-7(5-14)6-17-8)1-3-13(4-2-10)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyMJJLYGSHGDHSQS-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.89
Rot. Bonds2

About 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid

4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 87390301) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
PubChem CID87390301
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
SMILESO=Cc1csc(C2(F)CCN(C(=O)O)CC2)n1
InChIInChI=1S/C10H11FN2O3S/c11-10(8-12-7(5-14)6-17-8)1-3-13(4-2-10)9(15)16/h5-6H,1-4H2,(H,15,16)
InChIKeyMJJLYGSHGDHSQS-UHFFFAOYSA-N
XLogP1.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid (CID 87390301) is 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is O=Cc1csc(C2(F)CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is MJJLYGSHGDHSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-10(8-12-7(5-14)6-17-8)1-3-13(4-2-10)9(15)16/h5-6H,1-4H2,(H,15,16).
What are the key properties of 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid?
4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 87390301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).