3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide

C19H21N3OS — CID 119954224

IUPAC3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide
SMILESCC(Cc1nc2ccccc2s1)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13(11-19-22-16-9-5-6-10-17(16)24-19)21-18(23)12-15(20)14-7-3-2-4-8-14/h2-10,13,15H,11-12,20H2,1H3,(H,21,23)
InChIKeyCQQYGEQCUHNCSV-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.43
Rot. Bonds6

About 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide

3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 119954224) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID119954224
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide
SMILESCC(Cc1nc2ccccc2s1)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-13(11-19-22-16-9-5-6-10-17(16)24-19)21-18(23)12-15(20)14-7-3-2-4-8-14/h2-10,13,15H,11-12,20H2,1H3,(H,21,23)
InChIKeyCQQYGEQCUHNCSV-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-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

3-(2-aminophenyl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]propanamide
CID 120613503
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid
CID 43360732
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119900503
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119756789
(2R)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride
CID 155669952
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119900501
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide
CID 51144184
5-[1-(1,3-benzothiazol-2-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 138028421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide (CID 119954224) is 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide is CC(Cc1nc2ccccc2s1)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is CQQYGEQCUHNCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13(11-19-22-16-9-5-6-10-17(16)24-19)21-18(23)12-15(20)14-7-3-2-4-8-14/h2-10,13,15H,11-12,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 119954224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).