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

C10H10N2O3S — CID 131347969

IUPACmethyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
SMILESCOC(=O)c1cc(OC)cc2sc(N)nc12
InChIInChI=1S/C10H10N2O3S/c1-14-5-3-6(9(13)15-2)8-7(4-5)16-10(11)12-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyNOGRCFNAGABAAM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.67
Rot. Bonds2

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

methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate (PubChem CID 131347969) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
PubChem CID131347969
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Namemethyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
SMILESCOC(=O)c1cc(OC)cc2sc(N)nc12
InChIInChI=1S/C10H10N2O3S/c1-14-5-3-6(9(13)15-2)8-7(4-5)16-10(11)12-8/h3-4H,1-2H3,(H2,11,12)
InChIKeyNOGRCFNAGABAAM-UHFFFAOYSA-N
XLogP1.67
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
The IUPAC name of methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate (CID 131347969) is methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate is COC(=O)c1cc(OC)cc2sc(N)nc12.
What is the InChIKey of methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
The InChIKey is NOGRCFNAGABAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-14-5-3-6(9(13)15-2)8-7(4-5)16-10(11)12-8/h3-4H,1-2H3,(H2,11,12).
What are the key properties of methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate?
methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate is sourced from PubChem (CID 131347969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).