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

C13H12N2O3S — CID 2989515

IUPAC2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)Nc1nccs1
InChIInChI=1S/C13H12N2O3S/c1-8-11(12(16)15-13-14-6-7-19-13)18-10-5-3-2-4-9(10)17-8/h2-8,11H,1H3,(H,14,15,16)
InChIKeyRKZGQXIFYSJQIR-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.31
Rot. Bonds2

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

2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2989515) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2989515
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)Nc1nccs1
InChIInChI=1S/C13H12N2O3S/c1-8-11(12(16)15-13-14-6-7-19-13)18-10-5-3-2-4-9(10)17-8/h2-8,11H,1H3,(H,14,15,16)
InChIKeyRKZGQXIFYSJQIR-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1478778
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
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-[4-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazol-2-yl]-acetamide
CID 3155495
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
N1-(1,3-thiazol-2-yl)-3-(4-fluorophenoxy)propanamide
CID 2739506
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 977973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2989515) is 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is RKZGQXIFYSJQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8-11(12(16)15-13-14-6-7-19-13)18-10-5-3-2-4-9(10)17-8/h2-8,11H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2989515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).