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

C13H20N2O2S — CID 21202811

IUPACethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11-4-6-15(7-5-11)8-12-9-18-10(2)14-12/h9,11H,3-8H2,1-2H3
InChIKeyDZAKKWBNCLNJFD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.23
Rot. Bonds4

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

ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 21202811) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
PubChem CID21202811
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nameethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(16)11-4-6-15(7-5-11)8-12-9-18-10(2)14-12/h9,11H,3-8H2,1-2H3
InChIKeyDZAKKWBNCLNJFD-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]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

Related Compounds

ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55505863
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
ethyl 1-[[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 8772824
2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84756543
[2-(aminomethyl)pyrrolidin-1-yl]-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 119631993
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
ethyl 1-[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156971
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
ethyl 1-[[2-(4-octoxyanilino)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 58791824
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
N-(3-amino-4-methylpentyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119658510

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (CID 21202811) is ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DZAKKWBNCLNJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-13(16)11-4-6-15(7-5-11)8-12-9-18-10(2)14-12/h9,11H,3-8H2,1-2H3.
What are the key properties of ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 21202811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).