N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide

C22H18N2OS — CID 1372469

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H18N2OS/c1-15-7-12-19-20(13-15)26-22(24-19)17-8-10-18(11-9-17)23-21(25)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyKICXYCUTJIGALW-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.45
Rot. Bonds4

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide (PubChem CID 1372469) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide
PubChem CID1372469
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1
InChIInChI=1S/C22H18N2OS/c1-15-7-12-19-20(13-15)26-22(24-19)17-8-10-18(11-9-17)23-21(25)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyKICXYCUTJIGALW-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide (CID 1372469) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
The InChIKey is KICXYCUTJIGALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-7-12-19-20(13-15)26-22(24-19)17-8-10-18(11-9-17)23-21(25)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide has a molecular weight of 358.47 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 1372469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).