N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide

C13H12N2O3S — CID 3155495

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2COc3ccccc3O2)cs1
InChIInChI=1S/C13H12N2O3S/c1-8(16)14-13-15-9(7-19-13)12-6-17-10-4-2-3-5-11(10)18-12/h2-5,7,12H,6H2,1H3,(H,14,15,16)
InChIKeyVOAZWWCFRZTFNR-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.61
Rot. Bonds2

About N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3155495) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID3155495
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2COc3ccccc3O2)cs1
InChIInChI=1S/C13H12N2O3S/c1-8(16)14-13-15-9(7-19-13)12-6-17-10-4-2-3-5-11(10)18-12/h2-5,7,12H,6H2,1H3,(H,14,15,16)
InChIKeyVOAZWWCFRZTFNR-UHFFFAOYSA-N
XLogP2.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide (CID 3155495) is N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2COc3ccccc3O2)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VOAZWWCFRZTFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8(16)14-13-15-9(7-19-13)12-6-17-10-4-2-3-5-11(10)18-12/h2-5,7,12H,6H2,1H3,(H,14,15,16).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 276.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3155495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).