1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone

C20H11NO3S — CID 23764551

IUPAC1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
SMILESO=C(c1nc2ccccc2s1)c1coc2c1cc(O)c1ccccc12
InChIInChI=1S/C20H11NO3S/c22-16-9-13-14(10-24-19(13)12-6-2-1-5-11(12)16)18(23)20-21-15-7-3-4-8-17(15)25-20/h1-10,22H
InChIKeySSMDLSTZFWRDOG-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.13
Rot. Bonds2

About 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone

1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone (PubChem CID 23764551) has the molecular formula C20H11NO3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
PubChem CID23764551
Molecular FormulaC20H11NO3S
Molecular Weight345.38 g/mol
Exact Mass345.05
IUPAC Name1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone
SMILESO=C(c1nc2ccccc2s1)c1coc2c1cc(O)c1ccccc12
InChIInChI=1S/C20H11NO3S/c22-16-9-13-14(10-24-19(13)12-6-2-1-5-11(12)16)18(23)20-21-15-7-3-4-8-17(15)25-20/h1-10,22H
InChIKeySSMDLSTZFWRDOG-UHFFFAOYSA-N
XLogP5.13
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-hydroxy-1,3-benzothiazol-2-yl)-(2-hydroxyphenyl)methanone
CID 54160180
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
CID 83393932
sulfanyl 1,3-benzothiazole-2-carboxylate
CID 87987373
2-(1,3-benzothiazol-2-ylsulfanyl)naphthalene-1,4-diol
CID 15141994
(E)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 135494332
1,3-benzothiazol-2-yl(thiophen-3-yl)methanone
CID 102192370
1-(1,3-benzothiazol-2-yl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43321384
N-[4-(1,3-benzothiazole-2-carbonyl)phenyl]acetamide
CID 22887490
(6-hydroxy-1,3-benzothiazol-2-yl)-(2-nitrophenyl)methanone
CID 54495460
1,3-benzothiazole-2-carbonyl(methanidyl)azanium
CID 59280493
1-(1,3-benzothiazol-2-yl)-3-hydroxyprop-2-en-1-one
CID 51508743
2-(1,3-benzothiazol-2-yl)-6-hydroxybenzo[f]chromen-3-one
CID 136738571

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone (CID 23764551) is 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone is O=C(c1nc2ccccc2s1)c1coc2c1cc(O)c1ccccc12.
What is the InChIKey of 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone?
The InChIKey is SSMDLSTZFWRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO3S/c22-16-9-13-14(10-24-19(13)12-6-2-1-5-11(12)16)18(23)20-21-15-7-3-4-8-17(15)25-20/h1-10,22H.
What are the key properties of 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone?
1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone has a molecular weight of 345.38 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(5-hydroxybenzo[g][1]benzofuran-3-yl)methanone is sourced from PubChem (CID 23764551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).