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

C9H7NO3S — CID 84676680

IUPAC6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(O)cc2s1
InChIInChI=1S/C9H7NO3S/c1-4-10-8-6(9(12)13)2-5(11)3-7(8)14-4/h2-3,11H,1H3,(H,12,13)
InChIKeyFKHQVAXROUDSGW-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.01
Rot. Bonds1

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

6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid (PubChem CID 84676680) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
PubChem CID84676680
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(O)cc2s1
InChIInChI=1S/C9H7NO3S/c1-4-10-8-6(9(12)13)2-5(11)3-7(8)14-4/h2-3,11H,1H3,(H,12,13)
InChIKeyFKHQVAXROUDSGW-UHFFFAOYSA-N
XLogP2.01
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxyphenyl)methanone
CID 53863164
(6-Hydroxy-1,3-benzothiazol-2-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 56847605
(4-Fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
CID 56929249
(2-Fluoro-3-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
CID 71458857
(2-Fluoro-5-hydroxyphenyl)-(6-hydroxy-1,3-benzothiazol-2-yl)methanone
CID 71456991
Methyl 2-amino-6-methoxybenzo[d]thiazole-4-carboxylate
CID 131347969
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-4-methyl-2-benzothiazolyl)-, (S)-
CID 131235
2-(1,1,2,2,2-Pentafluoroethyl)-1,3-benzothiazole-4-carboxylic acid
CID 90001536
2-Methyl-6-(trifluoromethoxy)benzo[d]thiazole-4-carboxylic acid
CID 90417650
Methyl 2-methyl-6-(trifluoromethoxy)-1,3-benzothiazole-4-carboxylate
CID 90418524
2-Methyl-6-(trifluoromethoxy)-1,3-benzothiazole-4-carbaldehyde
CID 144559593
6-Fluoro-2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid
CID 150908272

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
The IUPAC name of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid (CID 84676680) is 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cc(O)cc2s1.
What is the InChIKey of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
The InChIKey is FKHQVAXROUDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-4-10-8-6(9(12)13)2-5(11)3-7(8)14-4/h2-3,11H,1H3,(H,12,13).
What are the key properties of 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid?
6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-1,3-benzothiazole-4-carboxylic acid is sourced from PubChem (CID 84676680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).