N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide

C22H18N2OS — CID 1069055

IUPACN-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
SMILESO=C(Cc1ccc2sc(-c3ccccc3)nc2c1)NCc1ccccc1
InChIInChI=1S/C22H18N2OS/c25-21(23-15-16-7-3-1-4-8-16)14-17-11-12-20-19(13-17)24-22(26-20)18-9-5-2-6-10-18/h1-13H,14-15H2,(H,23,25)
InChIKeySGQAHYWKISFDGX-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.82
Rot. Bonds5

About N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide

N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide (PubChem CID 1069055) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
PubChem CID1069055
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
SMILESO=C(Cc1ccc2sc(-c3ccccc3)nc2c1)NCc1ccccc1
InChIInChI=1S/C22H18N2OS/c25-21(23-15-16-7-3-1-4-8-16)14-17-11-12-20-19(13-17)24-22(26-20)18-9-5-2-6-10-18/h1-13H,14-15H2,(H,23,25)
InChIKeySGQAHYWKISFDGX-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide 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

2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
CID 5092860
4-[[[2-(5-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
CID 58470399
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
CID 17325456
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
CID 3492633
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methylbenzamide
CID 3439806
5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 46461899
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 5007614
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-chloronaphthalene-1-carboxamide
CID 3915193
3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-5-yl]methylamino]propanoic acid
CID 59773052
3-[[[2-(5-fluoro-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
CID 143975868

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide (CID 1069055) is N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide is O=C(Cc1ccc2sc(-c3ccccc3)nc2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
The InChIKey is SGQAHYWKISFDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c25-21(23-15-16-7-3-1-4-8-16)14-17-11-12-20-19(13-17)24-22(26-20)18-9-5-2-6-10-18/h1-13H,14-15H2,(H,23,25).
What are the key properties of N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 1069055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).