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

C15H10NO2S- — CID 5092860

IUPAC2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
SMILESO=C([O-])Cc1ccc2sc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H11NO2S/c17-14(18)9-10-6-7-13-12(8-10)16-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)/p-1
InChIKeyCGJFGPQHBSLGOO-UHFFFAOYSA-M
MW268.32 g/mol
LogP2.26
Rot. Bonds3

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

2-(2-phenyl-1,3-benzothiazol-5-yl)acetate (PubChem CID 5092860) has the molecular formula C15H10NO2S- and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate.

Molecular Properties

Compound Name2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
PubChem CID5092860
Molecular FormulaC15H10NO2S-
Molecular Weight268.32 g/mol
Exact Mass268.04
IUPAC Name2-(2-phenyl-1,3-benzothiazol-5-yl)acetate
SMILESO=C([O-])Cc1ccc2sc(-c3ccccc3)nc2c1
InChIInChI=1S/C15H11NO2S/c17-14(18)9-10-6-7-13-12(8-10)16-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)/p-1
InChIKeyCGJFGPQHBSLGOO-UHFFFAOYSA-M
XLogP2.26
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
CID 1069055
2-(4-carboxyphenyl)-1,3-benzothiazole-5-carboxylic acid
CID 142416097
2-phenyl-1,3-benzothiazole-5,6-diol
CID 141168347
2-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 153310249
2-[3-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 147771386
2-phenyl-5-[4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 170681601
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
3-[[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-5-yl]methylamino]propanoic acid
CID 59773052
2-phenyl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-1,3-benzothiazole
CID 153310152
1-(2-tert-butyl-1,3-benzothiazol-5-yl)propan-2-one
CID 117371683
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
2-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]acetic acid
CID 174463087

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate?
The IUPAC name of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate (CID 5092860) is 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate.
What is the SMILES notation for 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate?
The canonical SMILES for 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate is O=C([O-])Cc1ccc2sc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate?
The InChIKey is CGJFGPQHBSLGOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11NO2S/c17-14(18)9-10-6-7-13-12(8-10)16-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)/p-1.
What are the key properties of 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate?
2-(2-phenyl-1,3-benzothiazol-5-yl)acetate has a molecular weight of 268.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-benzothiazol-5-yl)acetate is sourced from PubChem (CID 5092860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).