methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate

C10H10N2O2S — CID 130063207

IUPACmethyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate
SMILESCOC(=O)c1cc(C)cc2nc(N)sc12
InChIInChI=1S/C10H10N2O2S/c1-5-3-6(9(13)14-2)8-7(4-5)12-10(11)15-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyIXDKWCNMHAGHAQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.97
Rot. Bonds1

About methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate

methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate (PubChem CID 130063207) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate
PubChem CID130063207
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate
SMILESCOC(=O)c1cc(C)cc2nc(N)sc12
InChIInChI=1S/C10H10N2O2S/c1-5-3-6(9(13)14-2)8-7(4-5)12-10(11)15-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyIXDKWCNMHAGHAQ-UHFFFAOYSA-N
XLogP1.97
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-5-methyl-1,3-benzothiazole-7-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

5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
methyl 2-amino-4-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 94699550
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
CID 62794085
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
methyl 2-amino-5-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 76849978
dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
CID 155146767
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate?
The IUPAC name of methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate (CID 130063207) is methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate.
What is the SMILES notation for methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate?
The canonical SMILES for methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate is COC(=O)c1cc(C)cc2nc(N)sc12.
What is the InChIKey of methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate?
The InChIKey is IXDKWCNMHAGHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-3-6(9(13)14-2)8-7(4-5)12-10(11)15-8/h3-4H,1-2H3,(H2,11,12).
What are the key properties of methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate?
methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate is sourced from PubChem (CID 130063207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).