2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C23H26N4OS — CID 24823686

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)s1
InChIInChI=1S/C23H26N4OS/c1-18-16-24-23(29-18)25-21(28)17-26-12-14-27(15-13-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16,22H,12-15,17H2,1H3,(H,24,25,28)
InChIKeyQJVGXABIKQQBAO-UHFFFAOYSA-N
MW406.56 g/mol
LogP3.80
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 24823686) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID24823686
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)s1
InChIInChI=1S/C23H26N4OS/c1-18-16-24-23(29-18)25-21(28)17-26-12-14-27(15-13-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16,22H,12-15,17H2,1H3,(H,24,25,28)
InChIKeyQJVGXABIKQQBAO-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
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CID 1443705
2-(4-benzhydrylpiperazin-1-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22198267
2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3505849
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 10432016
2-(4-benzhydrylpiperazin-1-yl)-N-(methylcarbamoyl)acetamide
CID 31338650
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
2-(4-benzhydrylpiperazin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 24823686) is 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QJVGXABIKQQBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-18-16-24-23(29-18)25-21(28)17-26-12-14-27(15-13-26)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16,22H,12-15,17H2,1H3,(H,24,25,28).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 406.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24823686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).