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

C10H12FN3O3S — CID 123246683

IUPAC4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=NCc1csc(C2(F)CCN(C(=O)O)CC2)n1
InChIInChI=1S/C10H12FN3O3S/c11-10(1-3-14(4-2-10)9(15)16)8-13-7(5-12-17)6-18-8/h6H,1-5H2,(H,15,16)
InChIKeyCWHOWKCJVRXLFG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.35
Rot. Bonds3

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

4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 123246683) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
PubChem CID123246683
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
SMILESO=NCc1csc(C2(F)CCN(C(=O)O)CC2)n1
InChIInChI=1S/C10H12FN3O3S/c11-10(1-3-14(4-2-10)9(15)16)8-13-7(5-12-17)6-18-8/h6H,1-5H2,(H,15,16)
InChIKeyCWHOWKCJVRXLFG-UHFFFAOYSA-N
XLogP2.35
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-4-[4-(nitrosomethyl)-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-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid (CID 123246683) is 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is O=NCc1csc(C2(F)CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is CWHOWKCJVRXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c11-10(1-3-14(4-2-10)9(15)16)8-13-7(5-12-17)6-18-8/h6H,1-5H2,(H,15,16).
What are the key properties of 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid?
4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[4-(nitrosomethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 123246683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).