7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol

C9H9NO2S — CID 126501615

IUPAC7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol
SMILESOCCc1ccc(O)c2ncsc12
InChIInChI=1S/C9H9NO2S/c11-4-3-6-1-2-7(12)8-9(6)13-5-10-8/h1-2,5,11-12H,3-4H2
InChIKeyODIJXYWKSUIMPG-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.54
Rot. Bonds2

About 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol

7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol (PubChem CID 126501615) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol
PubChem CID126501615
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol
SMILESOCCc1ccc(O)c2ncsc12
InChIInChI=1S/C9H9NO2S/c11-4-3-6-1-2-7(12)8-9(6)13-5-10-8/h1-2,5,11-12H,3-4H2
InChIKeyODIJXYWKSUIMPG-UHFFFAOYSA-N
XLogP1.54
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxy-1,3-benzothiazol-7-yl)propanoic acid
CID 23253802
2-fluoro-4-(2-hydroxyethyl)benzene-1,3-diol
CID 117276910
1,3-benzothiazol-7-ol
CID 23289256
4-ethyl-7-propan-2-yl-1,3-benzothiazole
CID 130378060
1,3-benzothiazol-4-ylmethanol
CID 84652179
4-(2,2-dimethylpropyl)-7-methyl-1,3-benzothiazole
CID 91353241
14,15-dihexadecyl-5,8-dithia-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,7(11),9,13,15-heptaene
CID 70798145
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
8-ethylquinoxalin-5-ol
CID 172993583
4,7-dichloro-1,3-benzothiazole
CID 23199467
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol?
The IUPAC name of 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol (CID 126501615) is 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol.
What is the SMILES notation for 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol?
The canonical SMILES for 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol is OCCc1ccc(O)c2ncsc12.
What is the InChIKey of 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol?
The InChIKey is ODIJXYWKSUIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-4-3-6-1-2-7(12)8-9(6)13-5-10-8/h1-2,5,11-12H,3-4H2.
What are the key properties of 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol?
7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol has a molecular weight of 195.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol is sourced from PubChem (CID 126501615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).