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

C14H22N2O2S2 — CID 58328490

IUPACethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCSc2cnc(C)s2)CC1
InChIInChI=1S/C14H22N2O2S2/c1-3-18-14(17)12-4-6-16(7-5-12)8-9-19-13-10-15-11(2)20-13/h10,12H,3-9H2,1-2H3
InChIKeyZOBMHXIBZMOKGU-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.82
Rot. Bonds6

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

ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate (PubChem CID 58328490) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate
PubChem CID58328490
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Nameethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCSc2cnc(C)s2)CC1
InChIInChI=1S/C14H22N2O2S2/c1-3-18-14(17)12-4-6-16(7-5-12)8-9-19-13-10-15-11(2)20-13/h10,12H,3-9H2,1-2H3
InChIKeyZOBMHXIBZMOKGU-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate (CID 58328490) is ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCSc2cnc(C)s2)CC1.
What is the InChIKey of ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
The InChIKey is ZOBMHXIBZMOKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-18-14(17)12-4-6-16(7-5-12)8-9-19-13-10-15-11(2)20-13/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate has a molecular weight of 314.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 58328490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).