2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole

C17H16ClN3OS — CID 146102282

IUPAC2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole
SMILESClc1cncc(OC2CCN(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C17H16ClN3OS/c18-12-9-14(11-19-10-12)22-13-5-7-21(8-6-13)17-20-15-3-1-2-4-16(15)23-17/h1-4,9-11,13H,5-8H2
InChIKeyYWRRBYUGBMGZNR-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.39
Rot. Bonds3

About 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole

2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole (PubChem CID 146102282) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole
PubChem CID146102282
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole
SMILESClc1cncc(OC2CCN(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C17H16ClN3OS/c18-12-9-14(11-19-10-12)22-13-5-7-21(8-6-13)17-20-15-3-1-2-4-16(15)23-17/h1-4,9-11,13H,5-8H2
InChIKeyYWRRBYUGBMGZNR-UHFFFAOYSA-N
XLogP4.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3-benzothiazole
CID 56671917
2-[4-(4-fluorophenoxy)piperidin-1-yl]-5-phenyl-1,3-benzothiazole
CID 174498478
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154575945
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-3-chlorobenzamide
CID 121109215
6-fluoro-2-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]-1,3-benzothiazole
CID 171702679
4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
CID 171691387
2-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154583457
(6R)-4-(1,3-benzothiazol-2-yl)-6-phenoxy-1,4-oxazepane
CID 75536962

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole (CID 146102282) is 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole is Clc1cncc(OC2CCN(c3nc4ccccc4s3)CC2)c1.
What is the InChIKey of 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is YWRRBYUGBMGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c18-12-9-14(11-19-10-12)22-13-5-7-21(8-6-13)17-20-15-3-1-2-4-16(15)23-17/h1-4,9-11,13H,5-8H2.
What are the key properties of 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole?
2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 345.86 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 146102282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).