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

C13H12N2O3S — CID 3909324

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cnc(NC(=O)C2COc3ccccc3O2)s1
InChIInChI=1S/C13H12N2O3S/c1-8-6-14-13(19-8)15-12(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3,(H,14,15,16)
InChIKeyQVQGLHMZODVYNG-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.23
Rot. Bonds2

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

N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3909324) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3909324
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCc1cnc(NC(=O)C2COc3ccccc3O2)s1
InChIInChI=1S/C13H12N2O3S/c1-8-6-14-13(19-8)15-12(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3,(H,14,15,16)
InChIKeyQVQGLHMZODVYNG-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
N-(5-nitro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2950802
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
N-(4-methyl-2-thiazolyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
CID 9551872
2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2989515
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
N-(5-ethylthiazol-2-yl)-4-phenoxy-butanamide
CID 145420081
4-(2-methoxyphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420104
N-(5-(4-fluorobenzyl)thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 3158829
N-(5-methylthiazol-2-yl)-3-phenoxy-propanamide
CID 26197793

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3909324) is N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is Cc1cnc(NC(=O)C2COc3ccccc3O2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is QVQGLHMZODVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-6-14-13(19-8)15-12(16)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3909324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).