N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide

C16H14N2OS — CID 122609319

IUPACN-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)ccc2sc(C)nc12
InChIInChI=1S/C16H14N2OS/c1-10(19)17-15-13(12-6-4-3-5-7-12)8-9-14-16(15)18-11(2)20-14/h3-9H,1-2H3,(H,17,19)
InChIKeyBRRTVGSCIGNRSC-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.23
Rot. Bonds2

About N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide

N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide (PubChem CID 122609319) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide
PubChem CID122609319
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)ccc2sc(C)nc12
InChIInChI=1S/C16H14N2OS/c1-10(19)17-15-13(12-6-4-3-5-7-12)8-9-14-16(15)18-11(2)20-14/h3-9H,1-2H3,(H,17,19)
InChIKeyBRRTVGSCIGNRSC-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-5-phenyl-1,3-benzothiazol-4-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide (CID 122609319) is N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide is CC(=O)Nc1c(-c2ccccc2)ccc2sc(C)nc12.
What is the InChIKey of N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide?
The InChIKey is BRRTVGSCIGNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10(19)17-15-13(12-6-4-3-5-7-12)8-9-14-16(15)18-11(2)20-14/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide?
N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-phenyl-1,3-benzothiazol-4-yl)acetamide is sourced from PubChem (CID 122609319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).