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

C12H14N2O3S — CID 2163146

IUPAC2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C12H14N2O3S/c1-3-17-7-11(15)14-12-13-9-5-4-8(16-2)6-10(9)18-12/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyGDICFSYPOCKURC-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.28
Rot. Bonds5

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

2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2163146) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID2163146
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C12H14N2O3S/c1-3-17-7-11(15)14-12-13-9-5-4-8(16-2)6-10(9)18-12/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyGDICFSYPOCKURC-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

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
2-(dicyanomethylideneamino)oxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 145337658
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 2163146) is 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is CCOCC(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GDICFSYPOCKURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-7-11(15)14-12-13-9-5-4-8(16-2)6-10(9)18-12/h4-6H,3,7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide 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 2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2163146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).