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

C15H12N2OS — CID 774490

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2OS/c1-10(18)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,16,18)
InChIKeyLGNQWWNHKHRIAU-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.92
Rot. Bonds2

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

N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 774490) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID774490
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2OS/c1-10(18)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,16,18)
InChIKeyLGNQWWNHKHRIAU-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-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide (CID 774490) is N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is LGNQWWNHKHRIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10(18)16-12-6-4-5-11(9-12)15-17-13-7-2-3-8-14(13)19-15/h2-9H,1H3,(H,16,18).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]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-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 774490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).