2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C17H21N3O2S — CID 95899411

IUPAC2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CN2CCC[C@H](O)C2)cs1)Nc1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-15-7-4-8-20(11-15)10-14-12-23-17(19-14)9-16(22)18-13-5-2-1-3-6-13/h1-3,5-6,12,15,21H,4,7-11H2,(H,18,22)/t15-/m0/s1
InChIKeyFZVMISYMQZLSEE-HNNXBMFYSA-N
MW331.44 g/mol
LogP2.28
Rot. Bonds5

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

2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 95899411) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID95899411
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(CN2CCC[C@H](O)C2)cs1)Nc1ccccc1
InChIInChI=1S/C17H21N3O2S/c21-15-7-4-8-20(11-15)10-14-12-23-17(19-14)9-16(22)18-13-5-2-1-3-6-13/h1-3,5-6,12,15,21H,4,7-11H2,(H,18,22)/t15-/m0/s1
InChIKeyFZVMISYMQZLSEE-HNNXBMFYSA-N
XLogP2.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111496477
N-(2-methylphenyl)-2-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 86976652
2-[4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 111495984
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
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
CID 61435144
N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78836411
2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 120771636
ethyl 1-[[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylate
CID 78787377
2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 99106971
(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123242
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386672

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 95899411) is 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(CN2CCC[C@H](O)C2)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is FZVMISYMQZLSEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-15-7-4-8-20(11-15)10-14-12-23-17(19-14)9-16(22)18-13-5-2-1-3-6-13/h1-3,5-6,12,15,21H,4,7-11H2,(H,18,22)/t15-/m0/s1.
What are the key properties of 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 95899411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).