N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide

C22H24N3O2S+ — CID 9337327

IUPACN-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C22H23N3O2S/c1-15(26)17-5-4-6-18(13-17)23-21(27)14-25-11-9-16(10-12-25)22-24-19-7-2-3-8-20(19)28-22/h2-8,13,16H,9-12,14H2,1H3,(H,23,27)/p+1
InChIKeyRUMYANFJBFNIHZ-UHFFFAOYSA-O
MW394.52 g/mol
LogP2.90
Rot. Bonds5

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

N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide (PubChem CID 9337327) has the molecular formula C22H24N3O2S+ and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide
PubChem CID9337327
Molecular FormulaC22H24N3O2S+
Molecular Weight394.52 g/mol
Exact Mass394.16
IUPAC NameN-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1
InChIInChI=1S/C22H23N3O2S/c1-15(26)17-5-4-6-18(13-17)23-21(27)14-25-11-9-16(10-12-25)22-24-19-7-2-3-8-20(19)28-22/h2-8,13,16H,9-12,14H2,1H3,(H,23,27)/p+1
InChIKeyRUMYANFJBFNIHZ-UHFFFAOYSA-O
XLogP2.90
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-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

N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide
CID 71854602
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide
CID 7435569
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7435523
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,6-difluorophenyl)acetamide
CID 9438364
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7435567
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-tert-butylacetamide
CID 7435606
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 9337372
methyl 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]benzoate
CID 9337126
N-(4-acetylphenyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide
CID 9033739
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 9337200
methyl 3-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 51171318
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9337588

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide (CID 9337327) is N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide is CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide?
The InChIKey is RUMYANFJBFNIHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N3O2S/c1-15(26)17-5-4-6-18(13-17)23-21(27)14-25-11-9-16(10-12-25)22-24-19-7-2-3-8-20(19)28-22/h2-8,13,16H,9-12,14H2,1H3,(H,23,27)/p+1.
What are the key properties of N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9337327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).