2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone

C21H22N4O2S — CID 142225807

IUPAC2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1ccc(-c2nsc(C3CCN(C(=O)CO)CC3)c2-c2ccncn2)cc1
InChIInChI=1S/C21H22N4O2S/c1-14-2-4-15(5-3-14)20-19(17-6-9-22-13-23-17)21(28-24-20)16-7-10-25(11-8-16)18(27)12-26/h2-6,9,13,16,26H,7-8,10-12H2,1H3
InChIKeyGAWFNQAXCPCFTA-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.27
Rot. Bonds4

About 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 142225807) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID142225807
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1ccc(-c2nsc(C3CCN(C(=O)CO)CC3)c2-c2ccncn2)cc1
InChIInChI=1S/C21H22N4O2S/c1-14-2-4-15(5-3-14)20-19(17-6-9-22-13-23-17)21(28-24-20)16-7-10-25(11-8-16)18(27)12-26/h2-6,9,13,16,26H,7-8,10-12H2,1H3
InChIKeyGAWFNQAXCPCFTA-UHFFFAOYSA-N
XLogP3.27
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;hydrochloride
CID 22037518
1-[4-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 10318523
1-[4-[3-(3,4-dichlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 10071437
5-methyl-3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazole
CID 142938168
4-[3-[4-(dimethyl-λ3-iodanyl)phenyl]-4-pyrimidin-4-yl-1,2-thiazol-5-yl]-N-propan-2-yl-N-propylcyclohexan-1-amine;ethane
CID 142840718
1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 91065681
[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 10322807
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 46884779
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 10024629
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
2-hydroxy-1-[4-[(1E)-1-(methylamino)-3-(4-methylphenyl)-2-pyrimidin-4-ylbuta-1,3-dienyl]piperidin-1-yl]ethanone;methanethiol;methanol;2-methylbutane
CID 142840640
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone (CID 142225807) is 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone is Cc1ccc(-c2nsc(C3CCN(C(=O)CO)CC3)c2-c2ccncn2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is GAWFNQAXCPCFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-2-4-15(5-3-14)20-19(17-6-9-22-13-23-17)21(28-24-20)16-7-10-25(11-8-16)18(27)12-26/h2-6,9,13,16,26H,7-8,10-12H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 394.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[3-(4-methylphenyl)-4-pyrimidin-4-yl-1,2-thiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 142225807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).