2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C16H14N4OS2 — CID 2817087

IUPAC2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C16H14N4OS2/c21-14(10-20-8-7-11-4-1-2-5-12(11)20)17-16-19-18-15(23-16)13-6-3-9-22-13/h1-6,9H,7-8,10H2,(H,17,19,21)
InChIKeyGMDBHOALUWXUNY-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.27
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2817087) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2817087
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C16H14N4OS2/c21-14(10-20-8-7-11-4-1-2-5-12(11)20)17-16-19-18-15(23-16)13-6-3-9-22-13/h1-6,9H,7-8,10H2,(H,17,19,21)
InChIKeyGMDBHOALUWXUNY-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2817087) is 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCc2ccccc21)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GMDBHOALUWXUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c21-14(10-20-8-7-11-4-1-2-5-12(11)20)17-16-19-18-15(23-16)13-6-3-9-22-13/h1-6,9H,7-8,10H2,(H,17,19,21).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2817087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).