N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide

C22H24N4O2S — CID 9391097

IUPACN-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C22H24N4O2S/c1-16(27)17-6-2-3-7-18(17)23-21(28)14-25-10-12-26(13-11-25)15-22-24-19-8-4-5-9-20(19)29-22/h2-9H,10-15H2,1H3,(H,23,28)
InChIKeyAAXDDLYPFHHQNB-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.26
Rot. Bonds6

About N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 9391097) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID9391097
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C22H24N4O2S/c1-16(27)17-6-2-3-7-18(17)23-21(28)14-25-10-12-26(13-11-25)15-22-24-19-8-4-5-9-20(19)29-22/h2-9H,10-15H2,1H3,(H,23,28)
InChIKeyAAXDDLYPFHHQNB-UHFFFAOYSA-N
XLogP3.26
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-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

2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9390810
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 9391063
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-pentylacetamide
CID 8693755
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9390295
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 112769547
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)acetamide
CID 54767541
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9390698
3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 112810324
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 112771056
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide (CID 9391097) is N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is AAXDDLYPFHHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16(27)17-6-2-3-7-18(17)23-21(28)14-25-10-12-26(13-11-25)15-22-24-19-8-4-5-9-20(19)29-22/h2-9H,10-15H2,1H3,(H,23,28).
What are the key properties of N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 408.53 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9391097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).