2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole

C10H9N3S — CID 166525819

IUPAC2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole
SMILESc1nnc(-c2ccc3c(c2)CNC3)s1
InChIInChI=1S/C10H9N3S/c1-2-8-4-11-5-9(8)3-7(1)10-13-12-6-14-10/h1-3,6,11H,4-5H2
InChIKeyPCHFJFXZQCQHFC-UHFFFAOYSA-N
MW203.27 g/mol
LogP1.81
Rot. Bonds1

About 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole

2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole (PubChem CID 166525819) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole
PubChem CID166525819
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole
SMILESc1nnc(-c2ccc3c(c2)CNC3)s1
InChIInChI=1S/C10H9N3S/c1-2-8-4-11-5-9(8)3-7(1)10-13-12-6-14-10/h1-3,6,11H,4-5H2
InChIKeyPCHFJFXZQCQHFC-UHFFFAOYSA-N
XLogP1.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole 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-isoindol-5-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole (CID 166525819) is 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole is c1nnc(-c2ccc3c(c2)CNC3)s1.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole?
The InChIKey is PCHFJFXZQCQHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-2-8-4-11-5-9(8)3-7(1)10-13-12-6-14-10/h1-3,6,11H,4-5H2.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole?
2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole has a molecular weight of 203.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 166525819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).