N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C17H16N2O2S — CID 767741

IUPACN-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(18-12-13-6-2-1-3-7-13)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h1-9H,10-12H2,(H,18,20)
InChIKeyRWOYNCPEFKCWKZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.77
Rot. Bonds5

About N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767741) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767741
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16(18-12-13-6-2-1-3-7-13)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h1-9H,10-12H2,(H,18,20)
InChIKeyRWOYNCPEFKCWKZ-UHFFFAOYSA-N
XLogP2.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide 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

3-Benzyl-2(3H)-benzothiazolone
CID 853901
1'-benzyl-3H-spiro[1,3-benzothiazole-2,4'-piperidine]
CID 2814800
3-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713589
2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-2,3-dihydro-benzothiazol-6-yl)-acetamide
CID 10178824
6-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-3H-benzothiazol-2-one
CID 10759541
(R)-3-(3-(methylamino)-1-phenylpropyl)benzo[d]thiazol-2(3H)-one
CID 16067734
N-(2-methylphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 706207
3-Benzyl-5-(3-ethyl-3H-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one
CID 2259985
N-benzyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2449013
N-[2-(methylthio)phenyl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3236632
N-[3-(acetylamino)phenyl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3241581
N-{2-[butyl(methyl)amino]ethyl}-2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetamide
CID 5307267

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767741) is N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is O=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is RWOYNCPEFKCWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(18-12-13-6-2-1-3-7-13)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h1-9H,10-12H2,(H,18,20).
What are the key properties of N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).