3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide

C20H21N3O2S — CID 46289391

IUPAC3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(C)cc(C)c3)cc2s1
InChIInChI=1S/C20H21N3O2S/c1-12-8-13(2)10-16(9-12)22-19(25)7-5-15-4-6-17-18(11-15)26-20(23-17)21-14(3)24/h4,6,8-11H,5,7H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyHHMGHDOYTFKJHV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.44
Rot. Bonds5

About 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide

3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 46289391) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
PubChem CID46289391
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
SMILESCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(C)cc(C)c3)cc2s1
InChIInChI=1S/C20H21N3O2S/c1-12-8-13(2)10-16(9-12)22-19(25)7-5-15-4-6-17-18(11-15)26-20(23-17)21-14(3)24/h4,6,8-11H,5,7H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyHHMGHDOYTFKJHV-UHFFFAOYSA-N
XLogP4.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)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

N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 92719568
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 46289407
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
N-[6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289504
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(2-chloro-4,6-dimethoxyphenyl)propanamide
CID 46289428
N-[6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289506
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(4-butoxyphenyl)methyl]propanamide
CID 46289443
N-[6-[3-(3-fluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]-2-methylpropanamide
CID 46289542
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide (CID 46289391) is 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide is CC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(C)cc(C)c3)cc2s1.
What is the InChIKey of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is HHMGHDOYTFKJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-8-13(2)10-16(9-12)22-19(25)7-5-15-4-6-17-18(11-15)26-20(23-17)21-14(3)24/h4,6,8-11H,5,7H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide?
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 367.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 46289391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).