2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol

C15H13NO3S — CID 136746012

IUPAC2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(-c2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C15H13NO3S/c1-18-9-7-11(17)14(12(8-9)19-2)15-16-10-5-3-4-6-13(10)20-15/h3-8,17H,1-2H3
InChIKeyWLAXBTPOHVCOTL-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.69
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol

2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol (PubChem CID 136746012) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
PubChem CID136746012
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
SMILESCOc1cc(O)c(-c2nc3ccccc3s2)c(OC)c1
InChIInChI=1S/C15H13NO3S/c1-18-9-7-11(17)14(12(8-9)19-2)15-16-10-5-3-4-6-13(10)20-15/h3-8,17H,1-2H3
InChIKeyWLAXBTPOHVCOTL-UHFFFAOYSA-N
XLogP3.69
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 136785678
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
4-[[6-(1,3-benzothiazol-2-yl)naphthalen-2-yl]-methylamino]-2-methoxyphenol
CID 142749800
2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
CID 132514015
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]boronic acid
CID 122368528
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 1104009

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol (CID 136746012) is 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol is COc1cc(O)c(-c2nc3ccccc3s2)c(OC)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol?
The InChIKey is WLAXBTPOHVCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-18-9-7-11(17)14(12(8-9)19-2)15-16-10-5-3-4-6-13(10)20-15/h3-8,17H,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol?
2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol has a molecular weight of 287.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol is sourced from PubChem (CID 136746012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).