3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide

C19H19N3O2S — CID 51309529

IUPAC3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nc2ccccc2s1)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-7-9-14(10-8-12)16(20-13(2)23)11-18(24)22-19-21-15-5-3-4-6-17(15)25-19/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyKRJMJNNICOWMGB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.81
Rot. Bonds5

About 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide (PubChem CID 51309529) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
PubChem CID51309529
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nc2ccccc2s1)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O2S/c1-12-7-9-14(10-8-12)16(20-13(2)23)11-18(24)22-19-21-15-5-3-4-6-17(15)25-19/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyKRJMJNNICOWMGB-UHFFFAOYSA-N
XLogP3.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)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-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 55485822
N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 8881883
(3R)-3-acetamido-N-benzo[e][1,3]benzothiazol-2-yl-3-phenylpropanamide
CID 8781136
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 51315681
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
3-acetamido-3-(4-methoxyphenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 134011351
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
3-acetamido-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 46523320
N-[3-(1,3-benzothiazol-2-ylamino)-1-(3-methoxyphenyl)-3-oxopropyl]benzamide
CID 4289742

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide (CID 51309529) is 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1nc2ccccc2s1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is KRJMJNNICOWMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-7-9-14(10-8-12)16(20-13(2)23)11-18(24)22-19-21-15-5-3-4-6-17(15)25-19/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51309529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).