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

C15H17N3O4S — CID 6493272

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C15H17N3O4S/c1-15(2,3)13-17-18-14(23-13)16-12(19)7-20-9-4-5-10-11(6-9)22-8-21-10/h4-6H,7-8H2,1-3H3,(H,16,18,19)
InChIKeyMAEMHBBMTBOQHO-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.58
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6493272) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6493272
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C15H17N3O4S/c1-15(2,3)13-17-18-14(23-13)16-12(19)7-20-9-4-5-10-11(6-9)22-8-21-10/h4-6H,7-8H2,1-3H3,(H,16,18,19)
InChIKeyMAEMHBBMTBOQHO-UHFFFAOYSA-N
XLogP2.58
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6493272) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MAEMHBBMTBOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-15(2,3)13-17-18-14(23-13)16-12(19)7-20-9-4-5-10-11(6-9)22-8-21-10/h4-6H,7-8H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 335.39 g/mol, XLogP of 2.58, 4 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-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6493272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).