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

C11H17N3S — CID 107647773

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CC3CCC2C3)s1
InChIInChI=1S/C11H17N3S/c1-2-10-13-14-11(15-10)12-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyGZZQYRJARGICKJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.70
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647773) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647773
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CC3CCC2C3)s1
InChIInChI=1S/C11H17N3S/c1-2-10-13-14-11(15-10)12-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyGZZQYRJARGICKJ-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.70
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)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647773) is N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CC3CCC2C3)s1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GZZQYRJARGICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-10-13-14-11(15-10)12-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 223.34 g/mol, XLogP of 2.70, 3 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)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).