2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide

C20H25N3O2S — CID 55803185

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18(21-10-9-20(25)23-11-5-2-6-12-23)14-17-15-26-19(22-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,21,24)
InChIKeyMYASIDYUIPNHTL-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.80
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide (PubChem CID 55803185) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
PubChem CID55803185
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCCC(=O)N1CCCCC1
InChIInChI=1S/C20H25N3O2S/c24-18(21-10-9-20(25)23-11-5-2-6-12-23)14-17-15-26-19(22-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,21,24)
InChIKeyMYASIDYUIPNHTL-UHFFFAOYSA-N
XLogP2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
1-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353808
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556470
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131911007
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55652126
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119544059
2-[4-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39944903
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 70330287

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide (CID 55803185) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide is O=C(Cc1csc(Cc2ccccc2)n1)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The InChIKey is MYASIDYUIPNHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18(21-10-9-20(25)23-11-5-2-6-12-23)14-17-15-26-19(22-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,21,24).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 55803185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).