ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

C19H24N2O4S — CID 1482756

IUPACethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(Oc3ccc(OC)cc3)s2)CC1
InChIInChI=1S/C19H24N2O4S/c1-3-24-18(22)14-8-10-21(11-9-14)13-17-12-20-19(26-17)25-16-6-4-15(23-2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyRHYJFFIFBAHLNC-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.72
Rot. Bonds7

About ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 1482756) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID1482756
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Nameethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(Oc3ccc(OC)cc3)s2)CC1
InChIInChI=1S/C19H24N2O4S/c1-3-24-18(22)14-8-10-21(11-9-14)13-17-12-20-19(26-17)25-16-6-4-15(23-2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3
InChIKeyRHYJFFIFBAHLNC-UHFFFAOYSA-N
XLogP3.72
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate (CID 1482756) is ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(OC)cc3)s2)CC1.
What is the InChIKey of ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is RHYJFFIFBAHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-3-24-18(22)14-8-10-21(11-9-14)13-17-12-20-19(26-17)25-16-6-4-15(23-2)5-7-16/h4-7,12,14H,3,8-11,13H2,1-2H3.
What are the key properties of ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(4-methoxyphenoxy)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1482756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).