3-(2-amino-1,3-benzothiazol-6-yl)phenol

C13H10N2OS — CID 53319933

IUPAC3-(2-amino-1,3-benzothiazol-6-yl)phenol
SMILESNc1nc2ccc(-c3cccc(O)c3)cc2s1
InChIInChI=1S/C13H10N2OS/c14-13-15-11-5-4-9(7-12(11)17-13)8-2-1-3-10(16)6-8/h1-7,16H,(H2,14,15)
InChIKeyRHVQMWASYJPMIL-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.25
Rot. Bonds1

About 3-(2-amino-1,3-benzothiazol-6-yl)phenol

3-(2-amino-1,3-benzothiazol-6-yl)phenol (PubChem CID 53319933) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-6-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-1,3-benzothiazol-6-yl)phenol
PubChem CID53319933
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-(2-amino-1,3-benzothiazol-6-yl)phenol
SMILESNc1nc2ccc(-c3cccc(O)c3)cc2s1
InChIInChI=1S/C13H10N2OS/c14-13-15-11-5-4-9(7-12(11)17-13)8-2-1-3-10(16)6-8/h1-7,16H,(H2,14,15)
InChIKeyRHVQMWASYJPMIL-UHFFFAOYSA-N
XLogP3.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2'-Hydroxyphenyl)benzothiazole
CID 18874
5-Amino-2-(1,3-benzothiazol-2-YL)phenol
CID 721102
2-(4-Aminophenyl)benzo[d]thiazol-6-ol
CID 10444413
3-(1,3-Benzothiazol-2-yl)phenol
CID 242605
2-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135460716
2-Hydroxybenzaldehyde-(2-benzothiazolylhydrazone)
CID 234605
5-Fluoro-2-(3-hydroxyphenyl)benzothiazole
CID 404991
(e)-2-((2-(Benzo[d]thiazol-2-yl)hydrazono)methyl)benzene-1,4-diol
CID 136601880
6-Hydroxy-2-(3-hydroxy-phenyl)-benzothiazole
CID 10466948
(E)-4-((2-(benzo[d]thiazol-2-yl)hydrazono)methyl)phenol
CID 135504340
US10669246, Example 22
CID 138504657
4-[(E)-1,3-benzothiazol-2-yliminomethyl]phenol
CID 135458943

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-6-yl)phenol?
The IUPAC name of 3-(2-amino-1,3-benzothiazol-6-yl)phenol (CID 53319933) is 3-(2-amino-1,3-benzothiazol-6-yl)phenol.
What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-6-yl)phenol?
The canonical SMILES for 3-(2-amino-1,3-benzothiazol-6-yl)phenol is Nc1nc2ccc(-c3cccc(O)c3)cc2s1.
What is the InChIKey of 3-(2-amino-1,3-benzothiazol-6-yl)phenol?
The InChIKey is RHVQMWASYJPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-13-15-11-5-4-9(7-12(11)17-13)8-2-1-3-10(16)6-8/h1-7,16H,(H2,14,15).
What are the key properties of 3-(2-amino-1,3-benzothiazol-6-yl)phenol?
3-(2-amino-1,3-benzothiazol-6-yl)phenol has a molecular weight of 242.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzothiazol-6-yl)phenol is sourced from PubChem (CID 53319933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).