N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

C12H14N2O3S — CID 45256553

IUPACN-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C12H14N2O3S/c1-17-7-6-13-11(15)8-14-12(16)9-4-2-3-5-10(9)18-14/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyDAKIZACFFOMXOA-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.83
Rot. Bonds5

About N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 45256553) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID45256553
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C12H14N2O3S/c1-17-7-6-13-11(15)8-14-12(16)9-4-2-3-5-10(9)18-14/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyDAKIZACFFOMXOA-UHFFFAOYSA-N
XLogP0.83
TPSA60.33 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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 44968084
2-(3,3-dimethyl-2-oxobutyl)-1,2-benzothiazol-3-one
CID 138578978
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 2496717
2-(3-oxo-1,2-benzothiazol-2-yl)ethanethioamide
CID 81434584
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18110420
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 8541570
2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide
CID 46950540
CID 71814542
CID 71814542
N-(2-methoxyethyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224443

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 45256553) is N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is COCCNC(=O)Cn1sc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is DAKIZACFFOMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-7-6-13-11(15)8-14-12(16)9-4-2-3-5-10(9)18-14/h2-5H,6-8H2,1H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 45256553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).