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

C18H21FN2O3S — CID 141434283

IUPAC1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCCCC1CCOc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c19-14-4-6-16(7-5-14)23-10-8-15-3-1-2-9-21(15)18(22)24-12-17-11-20-13-25-17/h4-7,11,13,15H,1-3,8-10,12H2
InChIKeyVTJZSKOCASKLLD-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.24
Rot. Bonds6

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

1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 141434283) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
PubChem CID141434283
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cncs1)N1CCCCC1CCOc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c19-14-4-6-16(7-5-14)23-10-8-15-3-1-2-9-21(15)18(22)24-12-17-11-20-13-25-17/h4-7,11,13,15H,1-3,8-10,12H2
InChIKeyVTJZSKOCASKLLD-UHFFFAOYSA-N
XLogP4.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate (CID 141434283) is 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate is O=C(OCc1cncs1)N1CCCCC1CCOc1ccc(F)cc1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is VTJZSKOCASKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-14-4-6-16(7-5-14)23-10-8-15-3-1-2-9-21(15)18(22)24-12-17-11-20-13-25-17/h4-7,11,13,15H,1-3,8-10,12H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 2-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 141434283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).