(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone

C20H13NO4S — CID 56929246

IUPAC(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)c(O)c1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C20H13NO4S/c22-13-7-8-15-18(11-13)26-20(21-15)19(24)12-6-9-17(16(23)10-12)25-14-4-2-1-3-5-14/h1-11,22-23H
InChIKeySQIHYDCREFLLIR-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.73
Rot. Bonds4

About (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone

(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone (PubChem CID 56929246) has the molecular formula C20H13NO4S and a molecular weight of 363.39 g/mol. Its IUPAC name is (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone
PubChem CID56929246
Molecular FormulaC20H13NO4S
Molecular Weight363.39 g/mol
Exact Mass363.06
IUPAC Name(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)c(O)c1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C20H13NO4S/c22-13-7-8-15-18(11-13)26-20(21-15)19(24)12-6-9-17(16(23)10-12)25-14-4-2-1-3-5-14/h1-11,22-23H
InChIKeySQIHYDCREFLLIR-UHFFFAOYSA-N
XLogP4.73
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone?
The IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone (CID 56929246) is (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone.
What is the SMILES notation for (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone?
The canonical SMILES for (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)c(O)c1)c1nc2ccc(O)cc2s1.
What is the InChIKey of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone?
The InChIKey is SQIHYDCREFLLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4S/c22-13-7-8-15-18(11-13)26-20(21-15)19(24)12-6-9-17(16(23)10-12)25-14-4-2-1-3-5-14/h1-11,22-23H.
What are the key properties of (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone?
(6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone has a molecular weight of 363.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-phenoxyphenyl)methanone is sourced from PubChem (CID 56929246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).