2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide

C18H15N3O4S — CID 6493282

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C18H15N3O4S/c22-16(10-23-13-6-7-14-15(9-13)25-11-24-14)19-18-21-20-17(26-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,21,22)
InChIKeyJMVUJWMKTKSKDK-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.88
Rot. Bonds6

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

2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6493282) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6493282
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C18H15N3O4S/c22-16(10-23-13-6-7-14-15(9-13)25-11-24-14)19-18-21-20-17(26-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,21,22)
InChIKeyJMVUJWMKTKSKDK-UHFFFAOYSA-N
XLogP2.88
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493278
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-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-(1,3-benzodioxol-5-yloxy)-N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 6493281
2-(1,3-benzodioxol-5-yloxy)-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6493274
2-(1,3-benzodioxol-5-yloxy)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16478991
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(3-methoxyphenoxy)acetamide
CID 1150765

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6493282) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is JMVUJWMKTKSKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-16(10-23-13-6-7-14-15(9-13)25-11-24-14)19-18-21-20-17(26-18)8-12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,19,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 369.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6493282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).