2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide

C12H10N2O4S — CID 6457966

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1nccs1
InChIInChI=1S/C12H10N2O4S/c15-11(14-12-13-3-4-19-12)6-16-8-1-2-9-10(5-8)18-7-17-9/h1-5H,6-7H2,(H,13,14,15)
InChIKeyXDGIAQCJEYAUFU-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.89
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6457966) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6457966
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1nccs1
InChIInChI=1S/C12H10N2O4S/c15-11(14-12-13-3-4-19-12)6-16-8-1-2-9-10(5-8)18-7-17-9/h1-5H,6-7H2,(H,13,14,15)
InChIKeyXDGIAQCJEYAUFU-UHFFFAOYSA-N
XLogP1.89
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 45147873
2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45153931
2-(2-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 2066627
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2789603
2-(3-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 882700
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133522656
2-{[6-(4-Methoxybenzyl)-1,3-thiazol-2-yl)acetamide
CID 336352
2-(2-ethoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 731796
2-(2-propoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 4822528

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide (CID 6457966) is 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1nccs1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XDGIAQCJEYAUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-11(14-12-13-3-4-19-12)6-16-8-1-2-9-10(5-8)18-7-17-9/h1-5H,6-7H2,(H,13,14,15).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 278.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6457966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).