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

C15H18N2O2S — CID 18721820

IUPACethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nc2ccccc2s1
InChIInChI=1S/C15H18N2O2S/c1-2-19-14(18)12-8-5-6-10-17(12)15-16-11-7-3-4-9-13(11)20-15/h3-4,7,9,12H,2,5-6,8,10H2,1H3
InChIKeyDXSGYVFSLRMGNM-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.22
Rot. Bonds3

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

ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate (PubChem CID 18721820) 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-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
PubChem CID18721820
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Nameethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1nc2ccccc2s1
InChIInChI=1S/C15H18N2O2S/c1-2-19-14(18)12-8-5-6-10-17(12)15-16-11-7-3-4-9-13(11)20-15/h3-4,7,9,12H,2,5-6,8,10H2,1H3
InChIKeyDXSGYVFSLRMGNM-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1,3-benzothiazole;ethyl (2S)-1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate;methane;(2S)-piperidine-2-carboxylic acid
CID 158049575
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
ethyl (2R)-1-(1,3-benzothiazole-2-carbonyl)pyrrolidine-2-carboxylate
CID 122143740
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
ethyl 1-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 79399934
ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
CID 113331456
1-(4-ethyl-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
CID 56724806
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
1,3-benzothiazol-2-ylmethyl (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 27278317
ethyl (2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 52812103

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate (CID 18721820) is ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1nc2ccccc2s1.
What is the InChIKey of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate?
The InChIKey is DXSGYVFSLRMGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-19-14(18)12-8-5-6-10-17(12)15-16-11-7-3-4-9-13(11)20-15/h3-4,7,9,12H,2,5-6,8,10H2,1H3.
What are the key properties of ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate?
ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.22, 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-2-carboxylate is sourced from PubChem (CID 18721820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).