N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

C15H12N2OS — CID 44623048

IUPACN-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C15H12N2OS/c1-10(18)16-15-17-13-8-7-12(9-14(13)19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
InChIKeyQRKJGBJCNLLUER-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.92
Rot. Bonds2

About N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 44623048) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID44623048
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccccc3)cc2s1
InChIInChI=1S/C15H12N2OS/c1-10(18)16-15-17-13-8-7-12(9-14(13)19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
InChIKeyQRKJGBJCNLLUER-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (CID 44623048) is N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(-c3ccccc3)cc2s1.
What is the InChIKey of N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QRKJGBJCNLLUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10(18)16-15-17-13-8-7-12(9-14(13)19-15)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 44623048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).