(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone

C16H24N2O3S — CID 128523099

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(C2CCCOC2)sc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C16H24N2O3S/c1-10-8-18(6-5-13(10)19)16(20)14-11(2)17-15(22-14)12-4-3-7-21-9-12/h10,12-13,19H,3-9H2,1-2H3
InChIKeyLCAVIVIQIJFFLW-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.19
Rot. Bonds2

About (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone

(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 128523099) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone
PubChem CID128523099
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(C2CCCOC2)sc1C(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C16H24N2O3S/c1-10-8-18(6-5-13(10)19)16(20)14-11(2)17-15(22-14)12-4-3-7-21-9-12/h10,12-13,19H,3-9H2,1-2H3
InChIKeyLCAVIVIQIJFFLW-UHFFFAOYSA-N
XLogP2.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-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-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678315
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 111470063
[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613261
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
2-[[(2S)-4-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129346778
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683836
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 95777919

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone (CID 128523099) is (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone is Cc1nc(C2CCCOC2)sc1C(=O)N1CCC(O)C(C)C1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is LCAVIVIQIJFFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10-8-18(6-5-13(10)19)16(20)14-11(2)17-15(22-14)12-4-3-7-21-9-12/h10,12-13,19H,3-9H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 128523099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).