2-(2-aminophenyl)-1,3-benzothiazol-6-ol

C13H10N2OS — CID 149215571

IUPAC2-(2-aminophenyl)-1,3-benzothiazol-6-ol
SMILESNc1ccccc1-c1nc2ccc(O)cc2s1
InChIInChI=1S/C13H10N2OS/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(16)7-12(11)17-13/h1-7,16H,14H2
InChIKeyXHLABLXRTSLCTC-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.25
Rot. Bonds1

About 2-(2-aminophenyl)-1,3-benzothiazol-6-ol

2-(2-aminophenyl)-1,3-benzothiazol-6-ol (PubChem CID 149215571) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(2-aminophenyl)-1,3-benzothiazol-6-ol
PubChem CID149215571
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(2-aminophenyl)-1,3-benzothiazol-6-ol
SMILESNc1ccccc1-c1nc2ccc(O)cc2s1
InChIInChI=1S/C13H10N2OS/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(16)7-12(11)17-13/h1-7,16H,14H2
InChIKeyXHLABLXRTSLCTC-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'}

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Related Compounds

2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
CID 136712634
2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol
CID 136716732
5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol
CID 137252031
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
CID 146253215
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
2-(5-aminocyclohepta-1,4,6-trien-1-yl)-1,3-benzothiazol-6-ol
CID 143177380
2-(4-amino-3-nitrophenyl)-1,3-benzothiazol-6-ol
CID 102106626

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(2-aminophenyl)-1,3-benzothiazol-6-ol (CID 149215571) is 2-(2-aminophenyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(2-aminophenyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(2-aminophenyl)-1,3-benzothiazol-6-ol is Nc1ccccc1-c1nc2ccc(O)cc2s1.
What is the InChIKey of 2-(2-aminophenyl)-1,3-benzothiazol-6-ol?
The InChIKey is XHLABLXRTSLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(16)7-12(11)17-13/h1-7,16H,14H2.
What are the key properties of 2-(2-aminophenyl)-1,3-benzothiazol-6-ol?
2-(2-aminophenyl)-1,3-benzothiazol-6-ol 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-(2-aminophenyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 149215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).