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

C14H22N2O2S — CID 78997614

IUPACethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCc1scnc1C
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(17)12-6-4-5-8-16(12)9-7-13-11(2)15-10-19-13/h10,12H,3-9H2,1-2H3
InChIKeyCDEXQLASIHMOHT-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.41
Rot. Bonds5

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

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate (PubChem CID 78997614) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
PubChem CID78997614
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCc1scnc1C
InChIInChI=1S/C14H22N2O2S/c1-3-18-14(17)12-6-4-5-8-16(12)9-7-13-11(2)15-10-19-13/h10,12H,3-9H2,1-2H3
InChIKeyCDEXQLASIHMOHT-UHFFFAOYSA-N
XLogP2.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 55035250
tert-butyl (2R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 80710247
N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63847833
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
2-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339519
4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiomorpholine-3-carboxylic acid
CID 82909197
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
2-methoxy-N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63854611
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate (CID 78997614) is ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CCc1scnc1C.
What is the InChIKey of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate?
The InChIKey is CDEXQLASIHMOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-14(17)12-6-4-5-8-16(12)9-7-13-11(2)15-10-19-13/h10,12H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate?
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 78997614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).