methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate

C9H8N2O3S — CID 131616510

IUPACmethyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1cc(O)c2nc(N)sc2c1
InChIInChI=1S/C9H8N2O3S/c1-14-8(13)4-2-5(12)7-6(3-4)15-9(10)11-7/h2-3,12H,1H3,(H2,10,11)
InChIKeyYOIMCEPCUUMEMY-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.37
Rot. Bonds1

About methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate

methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate (PubChem CID 131616510) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
PubChem CID131616510
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namemethyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1cc(O)c2nc(N)sc2c1
InChIInChI=1S/C9H8N2O3S/c1-14-8(13)4-2-5(12)7-6(3-4)15-9(10)11-7/h2-3,12H,1H3,(H2,10,11)
InChIKeyYOIMCEPCUUMEMY-UHFFFAOYSA-N
XLogP1.37
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate 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

methane;methyl 2-amino-4-fluoro-1,3-benzothiazole-6-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 165009883
methyl 2-amino-4-(difluoromethoxy)-1,3-benzothiazole-6-carboxylate
CID 134411249
methyl 4-amino-3-fluorobenzoate;methyl 2-amino-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 161113745
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
2-amino-4-ethyl-1,3-benzothiazole-6-carboxylic acid
CID 87417576
2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol
CID 138714038
2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262
dimethyl 5-[(2-amino-4-methyl-1,3-thiazol-5-yl)diazenyl]benzene-1,3-dicarboxylate
CID 4208717
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849978
methyl 2-ethenyl-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 139405053
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate (CID 131616510) is methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate is COC(=O)c1cc(O)c2nc(N)sc2c1.
What is the InChIKey of methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate?
The InChIKey is YOIMCEPCUUMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-14-8(13)4-2-5(12)7-6(3-4)15-9(10)11-7/h2-3,12H,1H3,(H2,10,11).
What are the key properties of methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate?
methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 131616510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).