5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine

C9H13N3S — CID 64536798

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c10-9-11-8(13-12-9)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,10,12)
InChIKeyCQGHGITWHLUUBI-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.02
Rot. Bonds1

About 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine

5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64536798) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine
PubChem CID64536798
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c10-9-11-8(13-12-9)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,10,12)
InChIKeyCQGHGITWHLUUBI-UHFFFAOYSA-N
XLogP2.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine (CID 64536798) is 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine is Nc1nsc(C2CC3CCC2C3)n1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is CQGHGITWHLUUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-9-11-8(13-12-9)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,10,12).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine?
5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 195.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64536798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).