2-amino-1,3-benzothiazol-7-ol

C7H6N2OS — CID 45077459

IUPAC2-amino-1,3-benzothiazol-7-ol
SMILESNc1nc2cccc(O)c2s1
InChIInChI=1S/C7H6N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H,(H2,8,9)
InChIKeyAMBHNZCZUDCPCY-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.58
Rot. Bonds

About 2-amino-1,3-benzothiazol-7-ol

2-amino-1,3-benzothiazol-7-ol (PubChem CID 45077459) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-amino-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-amino-1,3-benzothiazol-7-ol
PubChem CID45077459
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name2-amino-1,3-benzothiazol-7-ol
SMILESNc1nc2cccc(O)c2s1
InChIInChI=1S/C7H6N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H,(H2,8,9)
InChIKeyAMBHNZCZUDCPCY-UHFFFAOYSA-N
XLogP1.58
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1,3-benzothiazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-benzothiazol-7-ol?
The IUPAC name of 2-amino-1,3-benzothiazol-7-ol (CID 45077459) is 2-amino-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-amino-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-amino-1,3-benzothiazol-7-ol is Nc1nc2cccc(O)c2s1.
What is the InChIKey of 2-amino-1,3-benzothiazol-7-ol?
The InChIKey is AMBHNZCZUDCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H,(H2,8,9).
What are the key properties of 2-amino-1,3-benzothiazol-7-ol?
2-amino-1,3-benzothiazol-7-ol has a molecular weight of 166.21 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-benzothiazol-7-ol is sourced from PubChem (CID 45077459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).