2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid

C8H6N2O3S — CID 84677518

IUPAC2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid
SMILESNc1nc2c(C(=O)O)cc(O)cc2s1
InChIInChI=1S/C8H6N2O3S/c9-8-10-6-4(7(12)13)1-3(11)2-5(6)14-8/h1-2,11H,(H2,9,10)(H,12,13)
InChIKeyIUAVSYVPNCBZMR-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.28
Rot. Bonds1

About 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid

2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid (PubChem CID 84677518) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid
PubChem CID84677518
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid
SMILESNc1nc2c(C(=O)O)cc(O)cc2s1
InChIInChI=1S/C8H6N2O3S/c9-8-10-6-4(7(12)13)1-3(11)2-5(6)14-8/h1-2,11H,(H2,9,10)(H,12,13)
InChIKeyIUAVSYVPNCBZMR-UHFFFAOYSA-N
XLogP1.28
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
CID 84676680
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87417576
propyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
CID 88610213
2-amino-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
CID 84665942
methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
CID 131616510
6-fluoro-2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid
CID 150908272
2-amino-4-[(oxo-λ5-phosphanylidyne)methoxy]-1,3-benzothiazole-6-carboxylic acid
CID 141044486
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812
6-hydroxyquinazoline-8-carboxylic acid
CID 140638657
2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
CID 138714330
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 84689044
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid?
The IUPAC name of 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid (CID 84677518) is 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid is Nc1nc2c(C(=O)O)cc(O)cc2s1.
What is the InChIKey of 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid?
The InChIKey is IUAVSYVPNCBZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c9-8-10-6-4(7(12)13)1-3(11)2-5(6)14-8/h1-2,11H,(H2,9,10)(H,12,13).
What are the key properties of 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid?
2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-1,3-benzothiazole-4-carboxylic acid is sourced from PubChem (CID 84677518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).