ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate

C15H18N2O2S — CID 46862498

IUPACethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H18N2O2S/c1-2-19-14(18)11-7-9-17(10-8-11)15-16-12-5-3-4-6-13(12)20-15/h3-6,11H,2,7-10H2,1H3
InChIKeyYPDBHSPZLDIMGK-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.08
Rot. Bonds3

About ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate

ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate (PubChem CID 46862498) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate
PubChem CID46862498
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H18N2O2S/c1-2-19-14(18)11-7-9-17(10-8-11)15-16-12-5-3-4-6-13(12)20-15/h3-6,11H,2,7-10H2,1H3
InChIKeyYPDBHSPZLDIMGK-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate (CID 46862498) is ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate?
The InChIKey is YPDBHSPZLDIMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-19-14(18)11-7-9-17(10-8-11)15-16-12-5-3-4-6-13(12)20-15/h3-6,11H,2,7-10H2,1H3.
What are the key properties of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 46862498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).