N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C15H14N2O4S — CID 4066521

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2COc3ccccc3O2)nc1C
InChIInChI=1S/C15H14N2O4S/c1-8-13(9(2)18)22-15(16-8)17-14(19)12-7-20-10-5-3-4-6-11(10)21-12/h3-6,12H,7H2,1-2H3,(H,16,17,19)
InChIKeyNTJBOVIYXIHTLP-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.43
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 4066521) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID4066521
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2COc3ccccc3O2)nc1C
InChIInChI=1S/C15H14N2O4S/c1-8-13(9(2)18)22-15(16-8)17-14(19)12-7-20-10-5-3-4-6-11(10)21-12/h3-6,12H,7H2,1-2H3,(H,16,17,19)
InChIKeyNTJBOVIYXIHTLP-UHFFFAOYSA-N
XLogP2.43
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 4066521) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC(=O)c1sc(NC(=O)C2COc3ccccc3O2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is NTJBOVIYXIHTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-8-13(9(2)18)22-15(16-8)17-14(19)12-7-20-10-5-3-4-6-11(10)21-12/h3-6,12H,7H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 4066521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).