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

C13H10N2OS — CID 135623123

IUPAC2-amino-6-(1,3-benzothiazol-2-yl)phenol
SMILESNc1cccc(-c2nc3ccccc3s2)c1O
InChIInChI=1S/C13H10N2OS/c14-9-5-3-4-8(12(9)16)13-15-10-6-1-2-7-11(10)17-13/h1-7,16H,14H2
InChIKeyVPBFNGJZAYKJJX-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.25
Rot. Bonds1

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

2-amino-6-(1,3-benzothiazol-2-yl)phenol (PubChem CID 135623123) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-amino-6-(1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(1,3-benzothiazol-2-yl)phenol
PubChem CID135623123
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-amino-6-(1,3-benzothiazol-2-yl)phenol
SMILESNc1cccc(-c2nc3ccccc3s2)c1O
InChIInChI=1S/C13H10N2OS/c14-9-5-3-4-8(12(9)16)13-15-10-6-1-2-7-11(10)17-13/h1-7,16H,14H2
InChIKeyVPBFNGJZAYKJJX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
4-[3-(1,3-benzothiazol-2-yl)-2-hydroxyphenyl]benzene-1,2-diol
CID 176656530
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
CID 136712634
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
4-(1,3-benzothiazol-2-yl)-3-chlorobenzene-1,2-diol
CID 972656
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-amino-6-(1,3-benzothiazol-2-yl)phenol (CID 135623123) is 2-amino-6-(1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-amino-6-(1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-amino-6-(1,3-benzothiazol-2-yl)phenol is Nc1cccc(-c2nc3ccccc3s2)c1O.
What is the InChIKey of 2-amino-6-(1,3-benzothiazol-2-yl)phenol?
The InChIKey is VPBFNGJZAYKJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-9-5-3-4-8(12(9)16)13-15-10-6-1-2-7-11(10)17-13/h1-7,16H,14H2.
What are the key properties of 2-amino-6-(1,3-benzothiazol-2-yl)phenol?
2-amino-6-(1,3-benzothiazol-2-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 2-amino-6-(1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 135623123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).