[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C11H16N2O2S — CID 43589511

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H16N2O2S/c1-8-10(16-7-12-8)11(15)13-4-2-3-9(5-13)6-14/h7,9,14H,2-6H2,1H3
InChIKeyHEQLOJKPFCDJOS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.30
Rot. Bonds2

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

[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 43589511) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID43589511
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C11H16N2O2S/c1-8-10(16-7-12-8)11(15)13-4-2-3-9(5-13)6-14/h7,9,14H,2-6H2,1H3
InChIKeyHEQLOJKPFCDJOS-UHFFFAOYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124961599
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 42564796
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
1-(4-methylphenyl)-3-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 52523350
[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
CID 16671265
(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 54885904
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95737115
[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 166621082
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 43589511) is [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HEQLOJKPFCDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-10(16-7-12-8)11(15)13-4-2-3-9(5-13)6-14/h7,9,14H,2-6H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 43589511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).