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

C18H21ClN2O3S — CID 53327510

IUPAC1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cscn1)N1CCC(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-15-1-3-17(4-2-15)23-10-7-14-5-8-21(9-6-14)18(22)24-11-16-12-25-13-20-16/h1-4,12-14H,5-11H2
InChIKeyGXUBPJIYCOYMEF-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.61
Rot. Bonds6

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

1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate (PubChem CID 53327510) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
PubChem CID53327510
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
SMILESO=C(OCc1cscn1)N1CCC(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c19-15-1-3-17(4-2-15)23-10-7-14-5-8-21(9-6-14)18(22)24-11-16-12-25-13-20-16/h1-4,12-14H,5-11H2
InChIKeyGXUBPJIYCOYMEF-UHFFFAOYSA-N
XLogP4.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate (CID 53327510) is 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate is O=C(OCc1cscn1)N1CCC(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is GXUBPJIYCOYMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-15-1-3-17(4-2-15)23-10-7-14-5-8-21(9-6-14)18(22)24-11-16-12-25-13-20-16/h1-4,12-14H,5-11H2.
What are the key properties of 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate?
1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 380.90 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 53327510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).