2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid

C9H8N2O3S — CID 84689044

IUPAC2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2nc(N)sc12
InChIInChI=1S/C9H8N2O3S/c1-14-5-3-2-4(8(12)13)6-7(5)15-9(10)11-6/h2-3H,1H3,(H2,10,11)(H,12,13)
InChIKeyCYGRRASFXNSQSJ-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid

2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid (PubChem CID 84689044) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
PubChem CID84689044
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2nc(N)sc12
InChIInChI=1S/C9H8N2O3S/c1-14-5-3-2-4(8(12)13)6-7(5)15-9(10)11-6/h2-3H,1H3,(H2,10,11)(H,12,13)
InChIKeyCYGRRASFXNSQSJ-UHFFFAOYSA-N
XLogP1.59
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;4,7-dimethoxy-1,3-benzothiazol-2-amine;thiocyanate
CID 157421038
4-methoxy-7-N-methyl-1,3-benzothiazole-2,7-diamine
CID 22736978
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
2-amino-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
CID 84665942
4-methoxy-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-7-carboxylic acid
CID 18357003
4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-amine;8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 172688901
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
CID 107208052
2,7-dimethyl-1,3-benzothiazole-4-carboxylic acid
CID 84675176
4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 22283149
4-methoxy-1-benzothiophene-7-carboxylic acid
CID 18784114
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015
(2-amino-7-ethoxycarbonyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid
CID 22280362

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid?
The IUPAC name of 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid (CID 84689044) is 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid is COc1ccc(C(=O)O)c2nc(N)sc12.
What is the InChIKey of 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid?
The InChIKey is CYGRRASFXNSQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-14-5-3-2-4(8(12)13)6-7(5)15-9(10)11-6/h2-3H,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid?
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid is sourced from PubChem (CID 84689044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).