N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide

C12H14N2O3S — CID 652526

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide
SMILESCCOc1ccc2nc(NC(=O)COC)sc2c1
InChIInChI=1S/C12H14N2O3S/c1-3-17-8-4-5-9-10(6-8)18-12(13-9)14-11(15)7-16-2/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeySZPFSGXHTVEACE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.28
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide (PubChem CID 652526) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide
PubChem CID652526
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide
SMILESCCOc1ccc2nc(NC(=O)COC)sc2c1
InChIInChI=1S/C12H14N2O3S/c1-3-17-8-4-5-9-10(6-8)18-12(13-9)14-11(15)7-16-2/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeySZPFSGXHTVEACE-UHFFFAOYSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Riluzole
CID 5070
Diamthazole
CID 8708
2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
Tioxidazole
CID 72157
4-Methoxy-2-aminobenzothiazole
CID 21622
Amino-6-ethoxybenzothiazole, 2-
CID 7192
N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655817
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide (CID 652526) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide is CCOc1ccc2nc(NC(=O)COC)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
The InChIKey is SZPFSGXHTVEACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-8-4-5-9-10(6-8)18-12(13-9)14-11(15)7-16-2/h4-6H,3,7H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide has a molecular weight of 266.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamide is sourced from PubChem (CID 652526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).