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

C15H12N2OS — CID 726461

IUPAC2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
SMILESNC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H12N2OS/c16-14(18)9-10-6-7-13-12(8-10)17-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18)
InChIKeyGLVKZSDQOYHCRS-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.99
Rot. Bonds3

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

2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide (PubChem CID 726461) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
PubChem CID726461
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
SMILESNC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H12N2OS/c16-14(18)9-10-6-7-13-12(8-10)17-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18)
InChIKeyGLVKZSDQOYHCRS-UHFFFAOYSA-N
XLogP2.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Aminophenyl)benzothiazole
CID 234475
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
N-2-Benzothiazolylbenzeneacetamide
CID 591403
5-Benzothiazoleacetic acid, 2-phenyl-, ethyl ester
CID 39508
2-Phenyl-5-benzothiazoleacetic acid
CID 37534
2-(1,3-Benzothiazol-2-yl)aniline
CID 667680
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
CID 735970
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
4-(1,3-Benzothiazol-2-yl)-3-methylaniline
CID 44342070
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
2-(Benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone
CID 264060

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
The IUPAC name of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide (CID 726461) is 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide is NC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
The InChIKey is GLVKZSDQOYHCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-14(18)9-10-6-7-13-12(8-10)17-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18).
What are the key properties of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide?
2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 726461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).