2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole

C14H18N2O2S — CID 156527432

IUPAC2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole
SMILESCCO[C@H]1CNCC[C@@H]1Oc1nc2ccccc2s1
InChIInChI=1S/C14H18N2O2S/c1-2-17-12-9-15-8-7-11(12)18-14-16-10-5-3-4-6-13(10)19-14/h3-6,11-12,15H,2,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyUGXUTSJBBVILBP-RYUDHWBXSA-N
MW278.38 g/mol
LogP2.44
Rot. Bonds4

About 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole

2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole (PubChem CID 156527432) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole
PubChem CID156527432
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole
SMILESCCO[C@H]1CNCC[C@@H]1Oc1nc2ccccc2s1
InChIInChI=1S/C14H18N2O2S/c1-2-17-12-9-15-8-7-11(12)18-14-16-10-5-3-4-6-13(10)19-14/h3-6,11-12,15H,2,7-9H2,1H3/t11-,12-/m0/s1
InChIKeyUGXUTSJBBVILBP-RYUDHWBXSA-N
XLogP2.44
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
2-(3-methyl-4-propan-2-ylcyclohexyl)oxy-1,3-benzothiazole
CID 70466248
4-(1,3-benzothiazol-2-yloxy)cyclohexan-1-one
CID 138676550
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
(3S)-3-(1,3-benzothiazol-2-yloxy)piperidin-2-one
CID 164630025
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
CID 62328809
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
N-methyl-N-(3-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 14576069
(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
CID 141266125
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole;hydrochloride
CID 71637240

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole?
The IUPAC name of 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole (CID 156527432) is 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole.
What is the SMILES notation for 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole?
The canonical SMILES for 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole is CCO[C@H]1CNCC[C@@H]1Oc1nc2ccccc2s1.
What is the InChIKey of 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole?
The InChIKey is UGXUTSJBBVILBP-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-17-12-9-15-8-7-11(12)18-14-16-10-5-3-4-6-13(10)19-14/h3-6,11-12,15H,2,7-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole?
2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole has a molecular weight of 278.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-ethoxypiperidin-4-yl]oxy-1,3-benzothiazole is sourced from PubChem (CID 156527432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).