2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H13N3O5S — CID 6493278

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H13N3O5S/c1-18-6-12-15-16-13(22-12)14-11(17)5-19-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H,14,16,17)
InChIKeyMBMQZMFDGMPXRR-UHFFFAOYSA-N
MW323.33 g/mol
LogP1.43
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 6493278) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID6493278
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C13H13N3O5S/c1-18-6-12-15-16-13(22-12)14-11(17)5-19-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H,14,16,17)
InChIKeyMBMQZMFDGMPXRR-UHFFFAOYSA-N
XLogP1.43
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
2-(Benzo[1,3]dioxol-5-yloxy)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 6493276
2-(1,3-benzodioxol-5-yloxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493286
2-(1,3-benzodioxol-5-yloxy)-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493289
2-(1,3-benzodioxol-5-yloxy)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 6493292
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3163480
2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493272
2-(1,3-benzodioxol-5-yloxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493283
2-(1,3-benzodioxol-5-yloxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493287
2-(1,3-benzodioxol-5-yloxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6493290
2-(2-methoxyphenoxy)-N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)acetamide
CID 1416454
2-(2-Ethoxy-phenoxy)-N-(5-methoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 650458

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 6493278) is 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MBMQZMFDGMPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S/c1-18-6-12-15-16-13(22-12)14-11(17)5-19-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H,14,16,17).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 323.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 6493278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).