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

C9H13N3S — CID 65273767

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CC3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c1-2-7-3-6(1)4-8(7)12-9-10-5-11-13-9/h5-8H,1-4H2,(H,10,11,12)
InChIKeyBZXARCVAGKYGSK-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.14
Rot. Bonds2

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

N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65273767) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
PubChem CID65273767
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NC2CC3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c1-2-7-3-6(1)4-8(7)12-9-10-5-11-13-9/h5-8H,1-4H2,(H,10,11,12)
InChIKeyBZXARCVAGKYGSK-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine (CID 65273767) is N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine is c1nsc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BZXARCVAGKYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-7-3-6(1)4-8(7)12-9-10-5-11-13-9/h5-8H,1-4H2,(H,10,11,12).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 195.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).