ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate

C12H15FN2O3S — CID 121303323

IUPACethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1
InChIInChI=1S/C12H15FN2O3S/c1-2-18-12(17)10-14-9(7-19-10)11(16)15-5-3-8(13)4-6-15/h7-8H,2-6H2,1H3
InChIKeyUWTMCRJUZTWVCZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.89
Rot. Bonds3

About ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate

ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate (PubChem CID 121303323) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
PubChem CID121303323
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Nameethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1
InChIInChI=1S/C12H15FN2O3S/c1-2-18-12(17)10-14-9(7-19-10)11(16)15-5-3-8(13)4-6-15/h7-8H,2-6H2,1H3
InChIKeyUWTMCRJUZTWVCZ-UHFFFAOYSA-N
XLogP1.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate 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 ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate (CID 121303323) is ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N2CCC(F)CC2)cs1.
What is the InChIKey of ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
The InChIKey is UWTMCRJUZTWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-2-18-12(17)10-14-9(7-19-10)11(16)15-5-3-8(13)4-6-15/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 121303323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).