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

C20H27N3O3S — CID 67380637

IUPAC1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate
SMILESCN(C)c1cccc(OCCC2CCN(C(=O)OCc3cncs3)CC2)c1
InChIInChI=1S/C20H27N3O3S/c1-22(2)17-4-3-5-18(12-17)25-11-8-16-6-9-23(10-7-16)20(24)26-14-19-13-21-15-27-19/h3-5,12-13,15-16H,6-11,14H2,1-2H3
InChIKeyVBWOYJJWJGXENZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.03
Rot. Bonds7

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

1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate (PubChem CID 67380637) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate
PubChem CID67380637
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate
SMILESCN(C)c1cccc(OCCC2CCN(C(=O)OCc3cncs3)CC2)c1
InChIInChI=1S/C20H27N3O3S/c1-22(2)17-4-3-5-18(12-17)25-11-8-16-6-9-23(10-7-16)20(24)26-14-19-13-21-15-27-19/h3-5,12-13,15-16H,6-11,14H2,1-2H3
InChIKeyVBWOYJJWJGXENZ-UHFFFAOYSA-N
XLogP4.03
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-thiazol-5-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325507
1,3-thiazol-5-ylmethyl 4-[2-[3-(4-cyanophenyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 71009661
1,3-thiazol-5-ylmethyl 4-[2-(2-methylquinolin-8-yl)oxyethyl]piperidine-1-carboxylate
CID 67326022
1,3-thiazol-5-ylmethyl 4-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]ethyl]piperidine-1-carboxylate
CID 67326358
1,3-thiazol-5-ylmethyl 4-[2-(2-cyclopentylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326038
1,3-thiazol-4-ylmethyl 4-[2-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 87356759
1,3-thiazol-4-ylmethyl 4-(2-quinolin-6-yloxyethyl)piperidine-1-carboxylate
CID 67325747
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
1,3-thiazol-4-ylmethyl 4-[2-(4-chlorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327510
1,3-thiazol-2-ylmethyl 4-[2-(4-carbamoylphenoxy)ethyl]piperidine-1-carboxylate;1,3-thiazol-2-ylmethyl 4-[2-(3-cyanophenoxy)ethyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 158480295
1,3-thiazol-2-ylmethyl 4-[2-(3-methoxycarbonylnaphthalen-2-yl)oxyethyl]piperidine-1-carboxylate
CID 67326036
1,3-thiazol-2-ylmethyl 4-[2-(2,4-dimethylphenoxy)ethyl]piperidine-1-carboxylate
CID 67326235

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate (CID 67380637) is 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate is CN(C)c1cccc(OCCC2CCN(C(=O)OCc3cncs3)CC2)c1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate?
The InChIKey is VBWOYJJWJGXENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)17-4-3-5-18(12-17)25-11-8-16-6-9-23(10-7-16)20(24)26-14-19-13-21-15-27-19/h3-5,12-13,15-16H,6-11,14H2,1-2H3.
What are the key properties of 1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate?
1,3-thiazol-5-ylmethyl 4-[2-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate has a molecular weight of 389.52 g/mol, XLogP of 4.03, 7 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-[3-(dimethylamino)phenoxy]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 67380637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).