2-amino-1,3-benzothiazole-5,6-diol

C7H6N2O2S — CID 13158929

IUPAC2-amino-1,3-benzothiazole-5,6-diol
SMILESNc1nc2cc(O)c(O)cc2s1
InChIInChI=1S/C7H6N2O2S/c8-7-9-3-1-4(10)5(11)2-6(3)12-7/h1-2,10-11H,(H2,8,9)
InChIKeyGJQLLPGZBJKRIG-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.29
Rot. Bonds

About 2-amino-1,3-benzothiazole-5,6-diol

2-amino-1,3-benzothiazole-5,6-diol (PubChem CID 13158929) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-amino-1,3-benzothiazole-5,6-diol.

Molecular Properties

Compound Name2-amino-1,3-benzothiazole-5,6-diol
PubChem CID13158929
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name2-amino-1,3-benzothiazole-5,6-diol
SMILESNc1nc2cc(O)c(O)cc2s1
InChIInChI=1S/C7H6N2O2S/c8-7-9-3-1-4(10)5(11)2-6(3)12-7/h1-2,10-11H,(H2,8,9)
InChIKeyGJQLLPGZBJKRIG-UHFFFAOYSA-N
XLogP1.29
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-1,3-benzothiazole-5,6-diol with MolForge

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

Launch Full Analysis

Related Compounds

(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
2-phenyl-1,3-benzothiazole-5,6-diol
CID 141168347
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457
5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine
CID 82508790
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
6-chloro-5-ethyl-1,3-benzothiazol-2-amine
CID 170435006
(2-amino-6-methyl-1,3-benzothiazol-5-yl)thiourea
CID 169358383
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
[1,3]thiazolo[4,5-d]pyridazin-2-amine
CID 123263613
5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
CID 134691878
6-N-phenyl-1,3-benzothiazole-2,6-diamine
CID 21455645

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-benzothiazole-5,6-diol?
The IUPAC name of 2-amino-1,3-benzothiazole-5,6-diol (CID 13158929) is 2-amino-1,3-benzothiazole-5,6-diol.
What is the SMILES notation for 2-amino-1,3-benzothiazole-5,6-diol?
The canonical SMILES for 2-amino-1,3-benzothiazole-5,6-diol is Nc1nc2cc(O)c(O)cc2s1.
What is the InChIKey of 2-amino-1,3-benzothiazole-5,6-diol?
The InChIKey is GJQLLPGZBJKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c8-7-9-3-1-4(10)5(11)2-6(3)12-7/h1-2,10-11H,(H2,8,9).
What are the key properties of 2-amino-1,3-benzothiazole-5,6-diol?
2-amino-1,3-benzothiazole-5,6-diol has a molecular weight of 182.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-benzothiazole-5,6-diol is sourced from PubChem (CID 13158929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).