3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide

C14H13NO3S — CID 175093437

IUPAC3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide
SMILESCOc1ccc(C2N(O)c3ccccc3S2=O)cc1
InChIInChI=1S/C14H13NO3S/c1-18-11-8-6-10(7-9-11)14-15(16)12-4-2-3-5-13(12)19(14)17/h2-9,14,16H,1H3
InChIKeyLWVCEOQAFVFENV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.71
Rot. Bonds2

About 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide

3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide (PubChem CID 175093437) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide
PubChem CID175093437
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide
SMILESCOc1ccc(C2N(O)c3ccccc3S2=O)cc1
InChIInChI=1S/C14H13NO3S/c1-18-11-8-6-10(7-9-11)14-15(16)12-4-2-3-5-13(12)19(14)17/h2-9,14,16H,1H3
InChIKeyLWVCEOQAFVFENV-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide (CID 175093437) is 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide is COc1ccc(C2N(O)c3ccccc3S2=O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide?
The InChIKey is LWVCEOQAFVFENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-11-8-6-10(7-9-11)14-15(16)12-4-2-3-5-13(12)19(14)17/h2-9,14,16H,1H3.
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide?
3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide has a molecular weight of 275.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide is sourced from PubChem (CID 175093437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).