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

C16H19N3O4S — CID 7477791

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC[C@@H](C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C16H19N3O4S/c1-3-4-10(2)15-18-19-16(24-15)17-14(20)8-21-11-5-6-12-13(7-11)23-9-22-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,19,20)/t10-/m1/s1
InChIKeyACODCVRIEXBOAV-SNVBAGLBSA-N
MW349.41 g/mol
LogP3.19
Rot. Bonds7

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

2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 7477791) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID7477791
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC[C@@H](C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C16H19N3O4S/c1-3-4-10(2)15-18-19-16(24-15)17-14(20)8-21-11-5-6-12-13(7-11)23-9-22-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,19,20)/t10-/m1/s1
InChIKeyACODCVRIEXBOAV-SNVBAGLBSA-N
XLogP3.19
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.19
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-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide (CID 7477791) is 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide is CCC[C@@H](C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ACODCVRIEXBOAV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-4-10(2)15-18-19-16(24-15)17-14(20)8-21-11-5-6-12-13(7-11)23-9-22-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,17,19,20)/t10-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 3.19, 7 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-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 7477791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).