2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C21H27N3O2S2 — CID 24589923

IUPAC2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC(C)C(=O)N2CCC(Cc3ccccc3)CC2)sc1CC(N)=O
InChIInChI=1S/C21H27N3O2S2/c1-14-18(13-19(22)25)28-21(23-14)27-15(2)20(26)24-10-8-17(9-11-24)12-16-6-4-3-5-7-16/h3-7,15,17H,8-13H2,1-2H3,(H2,22,25)
InChIKeyQBYBLQXPZYYLEJ-UHFFFAOYSA-N
MW417.60 g/mol
LogP3.44
Rot. Bonds7

About 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 24589923) has the molecular formula C21H27N3O2S2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID24589923
Molecular FormulaC21H27N3O2S2
Molecular Weight417.60 g/mol
Exact Mass417.15
IUPAC Name2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(SC(C)C(=O)N2CCC(Cc3ccccc3)CC2)sc1CC(N)=O
InChIInChI=1S/C21H27N3O2S2/c1-14-18(13-19(22)25)28-21(23-14)27-15(2)20(26)24-10-8-17(9-11-24)12-16-6-4-3-5-7-16/h3-7,15,17H,8-13H2,1-2H3,(H2,22,25)
InChIKeyQBYBLQXPZYYLEJ-UHFFFAOYSA-N
XLogP3.44
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide 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

(2S)-1-(4-benzylpiperidin-1-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8735182
2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 100842423
(2R)-1-(4-benzylpiperidin-1-yl)-2-phenylsulfanylpropan-1-one
CID 2575053
(2R)-1-(4-benzylpiperidin-1-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 8574021
1-(4-benzylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 51073687
(2R)-1-(4-benzylpiperidin-1-yl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropan-1-one
CID 27047728
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2S)-1-(4-benzylpiperidin-1-yl)-2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 41189534
1-(4-benzylpiperidin-1-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 46625957
(2S)-1-(4-benzylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylpropan-1-one
CID 94011806
(2S)-1-(4-benzylpiperidin-1-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 8937767
(2S)-1-(4-benzylpiperidin-1-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 8959865

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 24589923) is 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(SC(C)C(=O)N2CCC(Cc3ccccc3)CC2)sc1CC(N)=O.
What is the InChIKey of 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is QBYBLQXPZYYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S2/c1-14-18(13-19(22)25)28-21(23-14)27-15(2)20(26)24-10-8-17(9-11-24)12-16-6-4-3-5-7-16/h3-7,15,17H,8-13H2,1-2H3,(H2,22,25).
What are the key properties of 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 417.60 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 24589923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).