N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine

C17H15N3S — CID 2810767

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NC3Cc4ccccc4C3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-2-6-12(7-3-1)16-19-17(21-20-16)18-15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2,(H,18,19,20)
InChIKeyQDYFSQAMADWDJR-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.78
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine

N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 2810767) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID2810767
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(-c2nsc(NC3Cc4ccccc4C3)n2)cc1
InChIInChI=1S/C17H15N3S/c1-2-6-12(7-3-1)16-19-17(21-20-16)18-15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2,(H,18,19,20)
InChIKeyQDYFSQAMADWDJR-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine 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 N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine (CID 2810767) is N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine is c1ccc(-c2nsc(NC3Cc4ccccc4C3)n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QDYFSQAMADWDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-2-6-12(7-3-1)16-19-17(21-20-16)18-15-10-13-8-4-5-9-14(13)11-15/h1-9,15H,10-11H2,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine?
N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 293.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 2810767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).