N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide

C13H13N3O5S2 — CID 39861090

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C13H13N3O5S2/c1-8(17)15-13-14-7-12(22-13)23(18,19)16-9-2-3-10-11(6-9)21-5-4-20-10/h2-3,6-7,16H,4-5H2,1H3,(H,14,15,17)
InChIKeySORIJTBRUCHHRU-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.67
Rot. Bonds4

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 39861090) has the molecular formula C13H13N3O5S2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide
PubChem CID39861090
Molecular FormulaC13H13N3O5S2
Molecular Weight355.40 g/mol
Exact Mass355.03
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C13H13N3O5S2/c1-8(17)15-13-14-7-12(22-13)23(18,19)16-9-2-3-10-11(6-9)21-5-4-20-10/h2-3,6-7,16H,4-5H2,1H3,(H,14,15,17)
InChIKeySORIJTBRUCHHRU-UHFFFAOYSA-N
XLogP1.67
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide (CID 39861090) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SORIJTBRUCHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S2/c1-8(17)15-13-14-7-12(22-13)23(18,19)16-9-2-3-10-11(6-9)21-5-4-20-10/h2-3,6-7,16H,4-5H2,1H3,(H,14,15,17).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39861090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).