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

C13H16N2O3S — CID 2206392

IUPAC2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOCC(=O)Nc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C13H16N2O3S/c1-3-17-8-12(16)15-13-14-10-6-5-9(18-4-2)7-11(10)19-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)
InChIKeyBGHFJJIGNOAGCY-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.67
Rot. Bonds6

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

2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2206392) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID2206392
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOCC(=O)Nc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C13H16N2O3S/c1-3-17-8-12(16)15-13-14-10-6-5-9(18-4-2)7-11(10)19-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)
InChIKeyBGHFJJIGNOAGCY-UHFFFAOYSA-N
XLogP2.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.67
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
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
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 3511405

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 2206392) is 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOCC(=O)Nc1nc2ccc(OCC)cc2s1.
What is the InChIKey of 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BGHFJJIGNOAGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-17-8-12(16)15-13-14-10-6-5-9(18-4-2)7-11(10)19-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2206392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).