ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate

C12H18N2O2S — CID 86184595

IUPACethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cscn2)CCCNC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-11(15)12(4-3-5-13-8-12)6-10-7-17-9-14-10/h7,9,13H,2-6,8H2,1H3
InChIKeyRWIIIXSHHFYBEY-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.62
Rot. Bonds4

About ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate

ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate (PubChem CID 86184595) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate
PubChem CID86184595
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2cscn2)CCCNC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-11(15)12(4-3-5-13-8-12)6-10-7-17-9-14-10/h7,9,13H,2-6,8H2,1H3
InChIKeyRWIIIXSHHFYBEY-UHFFFAOYSA-N
XLogP1.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate (CID 86184595) is ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1(Cc2cscn2)CCCNC1.
What is the InChIKey of ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate?
The InChIKey is RWIIIXSHHFYBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-11(15)12(4-3-5-13-8-12)6-10-7-17-9-14-10/h7,9,13H,2-6,8H2,1H3.
What are the key properties of ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate?
ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 86184595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).