1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate

C19H20FN3O3S — CID 67326183

IUPAC1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESN#Cc1ccc(OCCC2CCN(C(=O)OCc3cncs3)CC2)c(F)c1
InChIInChI=1S/C19H20FN3O3S/c20-17-9-15(10-21)1-2-18(17)25-8-5-14-3-6-23(7-4-14)19(24)26-12-16-11-22-13-27-16/h1-2,9,11,13-14H,3-8,12H2
InChIKeyQRVPLMQTEDCZRS-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.97
Rot. Bonds6

About 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate

1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 67326183) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate
PubChem CID67326183
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESN#Cc1ccc(OCCC2CCN(C(=O)OCc3cncs3)CC2)c(F)c1
InChIInChI=1S/C19H20FN3O3S/c20-17-9-15(10-21)1-2-18(17)25-8-5-14-3-6-23(7-4-14)19(24)26-12-16-11-22-13-27-16/h1-2,9,11,13-14H,3-8,12H2
InChIKeyQRVPLMQTEDCZRS-UHFFFAOYSA-N
XLogP3.97
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-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 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate (CID 67326183) is 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate is N#Cc1ccc(OCCC2CCN(C(=O)OCc3cncs3)CC2)c(F)c1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is QRVPLMQTEDCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-17-9-15(10-21)1-2-18(17)25-8-5-14-3-6-23(7-4-14)19(24)26-12-16-11-22-13-27-16/h1-2,9,11,13-14H,3-8,12H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 4-[2-(4-cyano-2-fluorophenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67326183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).