N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine

C10H15N3S — CID 130863721

IUPACN-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CC3CCC2CC3)s1
InChIInChI=1S/C10H15N3S/c1-3-8-4-2-7(1)5-9(8)12-10-13-11-6-14-10/h6-9H,1-5H2,(H,12,13)
InChIKeyOULYMJSHFNNHDO-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.53
Rot. Bonds2

About N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine

N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 130863721) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine
PubChem CID130863721
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CC3CCC2CC3)s1
InChIInChI=1S/C10H15N3S/c1-3-8-4-2-7(1)5-9(8)12-10-13-11-6-14-10/h6-9H,1-5H2,(H,12,13)
InChIKeyOULYMJSHFNNHDO-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine (CID 130863721) is N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine is c1nnc(NC2CC3CCC2CC3)s1.
What is the InChIKey of N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OULYMJSHFNNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-8-4-2-7(1)5-9(8)12-10-13-11-6-14-10/h6-9H,1-5H2,(H,12,13).
What are the key properties of N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine?
N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.2]octanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130863721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).