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

C20H26N2O3S — CID 67326235

IUPAC1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
SMILESCc1ccc(OCCC2CCN(C(=O)OCc3nccs3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-3-4-18(16(2)13-15)24-11-7-17-5-9-22(10-6-17)20(23)25-14-19-21-8-12-26-19/h3-4,8,12-13,17H,5-7,9-11,14H2,1-2H3
InChIKeyPEGNMGHNJKWMPF-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.58
Rot. Bonds6

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

1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 67326235) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
PubChem CID67326235
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
SMILESCc1ccc(OCCC2CCN(C(=O)OCc3nccs3)CC2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-3-4-18(16(2)13-15)24-11-7-17-5-9-22(10-6-17)20(23)25-14-19-21-8-12-26-19/h3-4,8,12-13,17H,5-7,9-11,14H2,1-2H3
InChIKeyPEGNMGHNJKWMPF-UHFFFAOYSA-N
XLogP4.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate (CID 67326235) is 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate is Cc1ccc(OCCC2CCN(C(=O)OCc3nccs3)CC2)c(C)c1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is PEGNMGHNJKWMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-3-4-18(16(2)13-15)24-11-7-17-5-9-22(10-6-17)20(23)25-14-19-21-8-12-26-19/h3-4,8,12-13,17H,5-7,9-11,14H2,1-2H3.
What are the key properties of 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate?
1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 374.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67326235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).