ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate

C15H17ClN2O2S — CID 67454156

IUPACethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2nc3ccc(Cl)cc3s2)C1
InChIInChI=1S/C15H17ClN2O2S/c1-2-20-14(19)10-4-3-7-18(9-10)15-17-12-6-5-11(16)8-13(12)21-15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyXRNTWGQTUXRAMR-SNVBAGLBSA-N
MW324.83 g/mol
LogP3.73
Rot. Bonds3

About ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate

ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate (PubChem CID 67454156) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate
PubChem CID67454156
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Nameethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(c2nc3ccc(Cl)cc3s2)C1
InChIInChI=1S/C15H17ClN2O2S/c1-2-20-14(19)10-4-3-7-18(9-10)15-17-12-6-5-11(16)8-13(12)21-15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1
InChIKeyXRNTWGQTUXRAMR-SNVBAGLBSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(5-chloro-2-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667728
ethyl 4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 90611667
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
ethyl 1-(4-chloro-5-formyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53273642
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
ethyl (3S)-1-(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylate
CID 41089520
(3R)-1-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 53495665
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate (CID 67454156) is ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(c2nc3ccc(Cl)cc3s2)C1.
What is the InChIKey of ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
The InChIKey is XRNTWGQTUXRAMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-20-14(19)10-4-3-7-18(9-10)15-17-12-6-5-11(16)8-13(12)21-15/h5-6,8,10H,2-4,7,9H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate?
ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate has a molecular weight of 324.83 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(6-chloro-1,3-benzothiazol-2-yl)piperidine-3-carboxylate is sourced from PubChem (CID 67454156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).