2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate

C11H12N2O3S — CID 3147262

IUPAC2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCOCCOC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C11H12N2O3S/c1-15-4-5-16-10(14)7-2-3-8-9(6-7)17-11(12)13-8/h2-3,6H,4-5H2,1H3,(H2,12,13)
InChIKeySRZNIAFAHGDVEJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.68
Rot. Bonds4

About 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate

2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate (PubChem CID 3147262) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
PubChem CID3147262
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESCOCCOC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C11H12N2O3S/c1-15-4-5-16-10(14)7-2-3-8-9(6-7)17-11(12)13-8/h2-3,6H,4-5H2,1H3,(H2,12,13)
InChIKeySRZNIAFAHGDVEJ-UHFFFAOYSA-N
XLogP1.68
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348498
2-propan-2-yloxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348925
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
[(2R)-1-methoxy-1-oxopropan-2-yl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690252
2-amino-N-(1-methoxypentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 65349221
(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348499
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
(4-methylcyclohexyl) 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348825
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The IUPAC name of 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate (CID 3147262) is 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate is COCCOC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate?
The InChIKey is SRZNIAFAHGDVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-4-5-16-10(14)7-2-3-8-9(6-7)17-11(12)13-8/h2-3,6H,4-5H2,1H3,(H2,12,13).
What are the key properties of 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate?
2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 3147262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).