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

C11H11N3S — CID 65409055

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2Cc3ccccc3C2)ns1
InChIInChI=1S/C11H11N3S/c12-11-13-10(14-15-11)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,12,13,14)
InChIKeyKNMIPBOLOYFOJR-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.00
Rot. Bonds1

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

3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65409055) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65409055
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2Cc3ccccc3C2)ns1
InChIInChI=1S/C11H11N3S/c12-11-13-10(14-15-11)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,12,13,14)
InChIKeyKNMIPBOLOYFOJR-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine (CID 65409055) is 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine is Nc1nc(C2Cc3ccccc3C2)ns1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KNMIPBOLOYFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c12-11-13-10(14-15-11)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H2,12,13,14).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine?
3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 217.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65409055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).