methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate

C10H10N2O2S — CID 22390084

IUPACmethyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate
SMILESCOC(=O)c1ccc2sc(N)nc2c1C
InChIInChI=1S/C10H10N2O2S/c1-5-6(9(13)14-2)3-4-7-8(5)12-10(11)15-7/h3-4H,1-2H3,(H2,11,12)
InChIKeyQJJHOBKGYBPBBX-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.97
Rot. Bonds1

About methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate

methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate (PubChem CID 22390084) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate
PubChem CID22390084
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate
SMILESCOC(=O)c1ccc2sc(N)nc2c1C
InChIInChI=1S/C10H10N2O2S/c1-5-6(9(13)14-2)3-4-7-8(5)12-10(11)15-7/h3-4H,1-2H3,(H2,11,12)
InChIKeyQJJHOBKGYBPBBX-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate (CID 22390084) is methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate is COC(=O)c1ccc2sc(N)nc2c1C.
What is the InChIKey of methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate?
The InChIKey is QJJHOBKGYBPBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-6(9(13)14-2)3-4-7-8(5)12-10(11)15-7/h3-4H,1-2H3,(H2,11,12).
What are the key properties of methyl 2-amino-4-methyl-1,3-benzothiazole-5-carboxylate?
methyl 2-amino-4-methyl-1,3-benzothiazole-5-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-4-methyl-1,3-benzothiazole-5-carboxylate is sourced from PubChem (CID 22390084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).