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

C14H22N2O2S — CID 79316174

IUPACethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nc(C)c(C)s2)C1
InChIInChI=1S/C14H22N2O2S/c1-4-18-14(17)12-6-5-7-16(8-12)9-13-15-10(2)11(3)19-13/h12H,4-9H2,1-3H3
InChIKeyKLJDEPGMEKJPKX-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.54
Rot. Bonds4

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

ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 79316174) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate
PubChem CID79316174
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nc(C)c(C)s2)C1
InChIInChI=1S/C14H22N2O2S/c1-4-18-14(17)12-6-5-7-16(8-12)9-13-15-10(2)11(3)19-13/h12H,4-9H2,1-3H3
InChIKeyKLJDEPGMEKJPKX-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate (CID 79316174) is ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2nc(C)c(C)s2)C1.
What is the InChIKey of ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is KLJDEPGMEKJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-18-14(17)12-6-5-7-16(8-12)9-13-15-10(2)11(3)19-13/h12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 79316174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).