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

C14H15N3O4S — CID 6493276

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H15N3O4S/c1-8(2)13-16-17-14(22-13)15-12(18)6-19-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyWOVNHDKIJMDPLL-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.41
Rot. Bonds5

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

2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6493276) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6493276
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C14H15N3O4S/c1-8(2)13-16-17-14(22-13)15-12(18)6-19-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyWOVNHDKIJMDPLL-UHFFFAOYSA-N
XLogP2.41
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.41
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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 6493276) is 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WOVNHDKIJMDPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-8(2)13-16-17-14(22-13)15-12(18)6-19-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 321.36 g/mol, XLogP of 2.41, 5 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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6493276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).