(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid

C13H14N2O2S — CID 97169146

IUPAC(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1c1nsc2ccccc12
InChIInChI=1S/C13H14N2O2S/c16-13(17)10-6-3-4-8-15(10)12-9-5-1-2-7-11(9)18-14-12/h1-2,5,7,10H,3-4,6,8H2,(H,16,17)/t10-/m1/s1
InChIKeyNAIUOMBKCADXAQ-SNVBAGLBSA-N
MW262.33 g/mol
LogP2.74
Rot. Bonds2

About (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid

(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid (PubChem CID 97169146) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
PubChem CID97169146
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1c1nsc2ccccc12
InChIInChI=1S/C13H14N2O2S/c16-13(17)10-6-3-4-8-15(10)12-9-5-1-2-7-11(9)18-14-12/h1-2,5,7,10H,3-4,6,8H2,(H,16,17)/t10-/m1/s1
InChIKeyNAIUOMBKCADXAQ-SNVBAGLBSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzothiazol-3-yl)piperazine-2-carboxylic acid
CID 71646320
1-(2,1-benzothiazol-3-yl)azepane-2-carboxylic acid
CID 66356548
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
[1-(1,2-benzothiazol-3-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71644476
1-(1,2-benzothiazol-3-yl)piperidin-4-ol
CID 66570294
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 118765457
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
(3S)-3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97117244
[(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-yl]methanol
CID 97169710

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid (CID 97169146) is (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1c1nsc2ccccc12.
What is the InChIKey of (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid?
The InChIKey is NAIUOMBKCADXAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(17)10-6-3-4-8-15(10)12-9-5-1-2-7-11(9)18-14-12/h1-2,5,7,10H,3-4,6,8H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid?
(2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,2-benzothiazol-3-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 97169146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).