5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole

C19H21N3OS — CID 142533284

IUPAC5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole
SMILESCC(c1ccc2scnc2c1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H21N3OS/c1-14(15-4-5-19-18(11-15)21-13-24-19)22-9-6-16(7-10-22)23-17-3-2-8-20-12-17/h2-5,8,11-14,16H,6-7,9-10H2,1H3
InChIKeyHOTACKPBKZFLSA-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.30
Rot. Bonds4

About 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole

5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole (PubChem CID 142533284) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole
PubChem CID142533284
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole
SMILESCC(c1ccc2scnc2c1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H21N3OS/c1-14(15-4-5-19-18(11-15)21-13-24-19)22-9-6-16(7-10-22)23-17-3-2-8-20-12-17/h2-5,8,11-14,16H,6-7,9-10H2,1H3
InChIKeyHOTACKPBKZFLSA-UHFFFAOYSA-N
XLogP4.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10752632, Example 4
CID 146444619
6-Methyl-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 90255042
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-4-yl)-1,3-thiazole
CID 23646949
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-3-yl)-1,3-thiazole
CID 23646950
8-[(1-Benzylpiperidin-4-yl)methoxy]-3-methyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 44592283
8-[(1-Benzylpiperidin-4-yl)methoxy]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 44592284
5-((1-(4-Methoxybenzyl)piperidin-4-yl)methyloxy)pyrrolo (1,2-a)thieno(3,2-e)pyrazine
CID 90666002
6-(5-Propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 122184480
2-[[4-[[3-(2-Methyl-4-pyridinyl)-2-pyridinyl]oxy]phenyl]methyl]-1,3-benzothiazole
CID 86766333
2-[3-[4-(5-Methoxy-2-pyridinyl)piperidin-1-yl]propyl]-1,3-benzothiazole
CID 164937998
8-[2-(1-Benzylpiperidin-4-yl)ethoxy]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 90665993
8-[[1-(2-Phenylethyl)piperidin-4-yl]methoxy]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 90665997

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole?
The IUPAC name of 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole (CID 142533284) is 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole.
What is the SMILES notation for 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole?
The canonical SMILES for 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole is CC(c1ccc2scnc2c1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole?
The InChIKey is HOTACKPBKZFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14(15-4-5-19-18(11-15)21-13-24-19)22-9-6-16(7-10-22)23-17-3-2-8-20-12-17/h2-5,8,11-14,16H,6-7,9-10H2,1H3.
What are the key properties of 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole?
5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole has a molecular weight of 339.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]-1,3-benzothiazole is sourced from PubChem (CID 142533284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).