2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C18H23N3O2S — CID 111495984

IUPAC2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CN2CCCCC2CO)cs1)Nc1ccccc1
InChIInChI=1S/C18H23N3O2S/c22-12-16-8-4-5-9-21(16)11-15-13-24-18(20-15)10-17(23)19-14-6-2-1-3-7-14/h1-3,6-7,13,16,22H,4-5,8-12H2,(H,19,23)
InChIKeyFDWRPHQEVFXTLB-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.67
Rot. Bonds6

About 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 111495984) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID111495984
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CN2CCCCC2CO)cs1)Nc1ccccc1
InChIInChI=1S/C18H23N3O2S/c22-12-16-8-4-5-9-21(16)11-15-13-24-18(20-15)10-17(23)19-14-6-2-1-3-7-14/h1-3,6-7,13,16,22H,4-5,8-12H2,(H,19,23)
InChIKeyFDWRPHQEVFXTLB-UHFFFAOYSA-N
XLogP2.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 99106971
2-[4-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 41105532
N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95327721
2-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 11940369
2-[4-[[2-(aminomethyl)imidazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 167753812
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583136
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
1-[[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908677

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 111495984) is 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(CN2CCCCC2CO)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is FDWRPHQEVFXTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-12-16-8-4-5-9-21(16)11-15-13-24-18(20-15)10-17(23)19-14-6-2-1-3-7-14/h1-3,6-7,13,16,22H,4-5,8-12H2,(H,19,23).
What are the key properties of 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 111495984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).