N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide

C15H16N2O4S — CID 136578810

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1sc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C15H16N2O4S/c1-9-10(2)22-15(19)17(9)8-14(18)16-11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyDWRXLWYELYYLCP-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.94
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 136578810) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID136578810
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1sc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1C
InChIInChI=1S/C15H16N2O4S/c1-9-10(2)22-15(19)17(9)8-14(18)16-11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyDWRXLWYELYYLCP-UHFFFAOYSA-N
XLogP1.94
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4112311
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 2489231
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 4007870

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 136578810) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1sc(=O)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is DWRXLWYELYYLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-10(2)22-15(19)17(9)8-14(18)16-11-3-4-12-13(7-11)21-6-5-20-12/h3-4,7H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 136578810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).