1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H18N2O2S — CID 114680127

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCC(O)C(C)C2)cs1
InChIInChI=1S/C12H18N2O2S/c1-8-6-14(4-3-11(8)15)12(16)5-10-7-17-9(2)13-10/h7-8,11,15H,3-6H2,1-2H3
InChIKeyRHFVEVIWMQPEDU-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.22
Rot. Bonds2

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 114680127) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID114680127
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCC(O)C(C)C2)cs1
InChIInChI=1S/C12H18N2O2S/c1-8-6-14(4-3-11(8)15)12(16)5-10-7-17-9(2)13-10/h7-8,11,15H,3-6H2,1-2H3
InChIKeyRHFVEVIWMQPEDU-UHFFFAOYSA-N
XLogP1.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone 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

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125020200
(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943372
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 70716310
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 134020946
1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95845725
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110106854
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95280581
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72895055
formic acid;2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 171324865

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 114680127) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCC(O)C(C)C2)cs1.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RHFVEVIWMQPEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-6-14(4-3-11(8)15)12(16)5-10-7-17-9(2)13-10/h7-8,11,15H,3-6H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 254.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 114680127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).