N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

C21H19N3O2S — CID 86860574

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESCC(CNC(=O)Cc1cc2ccccc2[nH]c1=O)c1nc2ccccc2s1
InChIInChI=1S/C21H19N3O2S/c1-13(21-24-17-8-4-5-9-18(17)27-21)12-22-19(25)11-15-10-14-6-2-3-7-16(14)23-20(15)26/h2-10,13H,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyFZYDZJMWAZCWAV-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 86860574) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID86860574
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
SMILESCC(CNC(=O)Cc1cc2ccccc2[nH]c1=O)c1nc2ccccc2s1
InChIInChI=1S/C21H19N3O2S/c1-13(21-24-17-8-4-5-9-18(17)27-21)12-22-19(25)11-15-10-14-6-2-3-7-16(14)23-20(15)26/h2-10,13H,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyFZYDZJMWAZCWAV-UHFFFAOYSA-N
XLogP3.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-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-[2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86858173
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 86858133
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 86860563
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 49312578
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86858144
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1,3-benzothiazol-2-yl)propyl]acetamide
CID 49312086
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 155966768
N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-1-methoxypropan-2-yl]-methylamino]acetamide
CID 94375513
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86860597
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-methyl-4-nitrobenzamide
CID 86858155

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide (CID 86860574) is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is CC(CNC(=O)Cc1cc2ccccc2[nH]c1=O)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is FZYDZJMWAZCWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13(21-24-17-8-4-5-9-18(17)27-21)12-22-19(25)11-15-10-14-6-2-3-7-16(14)23-20(15)26/h2-10,13H,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 86860574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).