2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

C14H13N5OS — CID 17419773

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1nn2cnnc2s1
InChIInChI=1S/C14H13N5OS/c20-12(16-13-18-19-8-15-17-14(19)21-13)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,8H,1-3,7H2,(H,16,18,20)
InChIKeyKMVDJXBPLJMGOP-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.86
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (PubChem CID 17419773) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
PubChem CID17419773
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1nn2cnnc2s1
InChIInChI=1S/C14H13N5OS/c20-12(16-13-18-19-8-15-17-14(19)21-13)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,8H,1-3,7H2,(H,16,18,20)
InChIKeyKMVDJXBPLJMGOP-UHFFFAOYSA-N
XLogP1.86
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (CID 17419773) is 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is O=C(Cc1ccc2c(c1)CCC2)Nc1nn2cnnc2s1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The InChIKey is KMVDJXBPLJMGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-12(16-13-18-19-8-15-17-14(19)21-13)7-9-4-5-10-2-1-3-11(10)6-9/h4-6,8H,1-3,7H2,(H,16,18,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide has a molecular weight of 299.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is sourced from PubChem (CID 17419773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).