N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide

C18H17N3O2S — CID 3284375

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
InChIInChI=1S/C18H17N3O2S/c1-12(22)19-14-8-9-15-16(11-14)24-18(20-15)21-17(23)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyMNHCMWHVSBZMMY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.83
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide (PubChem CID 3284375) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
PubChem CID3284375
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
InChIInChI=1S/C18H17N3O2S/c1-12(22)19-14-8-9-15-16(11-14)24-18(20-15)21-17(23)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyMNHCMWHVSBZMMY-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide 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

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
Cyclohexanecarboxamide, N-(6-nitro-2-benzothiazolyl)-
CID 739510
Iwp-2
CID 2155128
N-(1,3-benzothiazol-2-yl)-7-sulfanylheptanamide
CID 11346934
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-(6-Methanesulfonyl-benzothiazol-2-yl)-benzamide
CID 694930

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide (CID 3284375) is N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide is CC(=O)Nc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The InChIKey is MNHCMWHVSBZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(22)19-14-8-9-15-16(11-14)24-18(20-15)21-17(23)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide has a molecular weight of 339.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 3284375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).