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

C13H21N3S — CID 65271540

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3S/c1-3-12-15-13(17-16-12)14-8(2)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOZRHJIMBMHILJS-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.34
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271540) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65271540
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3S/c1-3-12-15-13(17-16-12)14-8(2)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOZRHJIMBMHILJS-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65271540) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OZRHJIMBMHILJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-3-12-15-13(17-16-12)14-8(2)11-7-9-4-5-10(11)6-9/h8-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 251.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).