(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

C20H26N2O2S — CID 70757893

IUPAC(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C20H26N2O2S/c1-3-18-19(25-14(2)21-18)20(24)22-13-5-4-6-16(22)10-7-15-8-11-17(23)12-9-15/h8-9,11-12,16,23H,3-7,10,13H2,1-2H3
InChIKeyAHCGAXDRJSLNFN-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.35
Rot. Bonds5

About (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 70757893) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID70757893
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESCCc1nc(C)sc1C(=O)N1CCCCC1CCc1ccc(O)cc1
InChIInChI=1S/C20H26N2O2S/c1-3-18-19(25-14(2)21-18)20(24)22-13-5-4-6-16(22)10-7-15-8-11-17(23)12-9-15/h8-9,11-12,16,23H,3-7,10,13H2,1-2H3
InChIKeyAHCGAXDRJSLNFN-UHFFFAOYSA-N
XLogP4.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-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

[(2R)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97139701
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 46990595
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
CID 131919452
2-methoxyethyl 2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carboxylate
CID 56913114
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
(1-cyclohexyltriazol-4-yl)-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 42346388
[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 96573273
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 72905265
5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70706334
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
[2-(2-phenylethyl)pyrrolidin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 55924057

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (CID 70757893) is (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is CCc1nc(C)sc1C(=O)N1CCCCC1CCc1ccc(O)cc1.
What is the InChIKey of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is AHCGAXDRJSLNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-3-18-19(25-14(2)21-18)20(24)22-13-5-4-6-16(22)10-7-15-8-11-17(23)12-9-15/h8-9,11-12,16,23H,3-7,10,13H2,1-2H3.
What are the key properties of (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
(4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methyl-1,3-thiazol-5-yl)-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70757893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).