[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone

C22H24N2O2S — CID 131919452

IUPAC[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCCCC3CCc3cccc(O)c3)ccc2s1
InChIInChI=1S/C22H24N2O2S/c1-15-23-20-14-17(9-11-21(20)27-15)22(26)24-12-3-2-6-18(24)10-8-16-5-4-7-19(25)13-16/h4-5,7,9,11,13-14,18,25H,2-3,6,8,10,12H2,1H3
InChIKeyJLXOGXAOTWPWDV-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.94
Rot. Bonds4

About [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone

[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone (PubChem CID 131919452) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
PubChem CID131919452
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCCCC3CCc3cccc(O)c3)ccc2s1
InChIInChI=1S/C22H24N2O2S/c1-15-23-20-14-17(9-11-21(20)27-15)22(26)24-12-3-2-6-18(24)10-8-16-5-4-7-19(25)13-16/h4-5,7,9,11,13-14,18,25H,2-3,6,8,10,12H2,1H3
InChIKeyJLXOGXAOTWPWDV-UHFFFAOYSA-N
XLogP4.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone 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-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70737293
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70757893
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 56563920
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
N-(2-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethyl]piperidine-1-carboxamide
CID 56882244

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone?
The IUPAC name of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone (CID 131919452) is [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone.
What is the SMILES notation for [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone?
The canonical SMILES for [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone is Cc1nc2cc(C(=O)N3CCCCC3CCc3cccc(O)c3)ccc2s1.
What is the InChIKey of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone?
The InChIKey is JLXOGXAOTWPWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-23-20-14-17(9-11-21(20)27-15)22(26)24-12-3-2-6-18(24)10-8-16-5-4-7-19(25)13-16/h4-5,7,9,11,13-14,18,25H,2-3,6,8,10,12H2,1H3.
What are the key properties of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone?
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone is sourced from PubChem (CID 131919452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).