2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol

C14H11NO2S — CID 136813339

IUPAC2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
SMILESCc1ccc2nc(-c3c(O)cccc3O)sc2c1
InChIInChI=1S/C14H11NO2S/c1-8-5-6-9-12(7-8)18-14(15-9)13-10(16)3-2-4-11(13)17/h2-7,16-17H,1H3
InChIKeyKESUETZIGFGQBA-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.68
Rot. Bonds1

About 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol

2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol (PubChem CID 136813339) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
PubChem CID136813339
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
SMILESCc1ccc2nc(-c3c(O)cccc3O)sc2c1
InChIInChI=1S/C14H11NO2S/c1-8-5-6-9-12(7-8)18-14(15-9)13-10(16)3-2-4-11(13)17/h2-7,16-17H,1H3
InChIKeyKESUETZIGFGQBA-UHFFFAOYSA-N
XLogP3.68
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
3-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile
CID 155931557
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 67238148
3-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 58342006
3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
CID 143131565
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
N,3-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)-1,2-thiazol-5-amine
CID 79391335
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol?
The IUPAC name of 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol (CID 136813339) is 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol.
What is the SMILES notation for 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol?
The canonical SMILES for 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol is Cc1ccc2nc(-c3c(O)cccc3O)sc2c1.
What is the InChIKey of 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol?
The InChIKey is KESUETZIGFGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-8-5-6-9-12(7-8)18-14(15-9)13-10(16)3-2-4-11(13)17/h2-7,16-17H,1H3.
What are the key properties of 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol?
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol has a molecular weight of 257.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol is sourced from PubChem (CID 136813339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).