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

C14H23N3S — CID 65271539

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C14H23N3S/c1-3-4-13-16-14(18-17-13)15-9(2)12-8-10-5-6-11(12)7-10/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyDVYJINLFECOBOC-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.73
Rot. Bonds5

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271539) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271539
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C14H23N3S/c1-3-4-13-16-14(18-17-13)15-9(2)12-8-10-5-6-11(12)7-10/h9-12H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyDVYJINLFECOBOC-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.73
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-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271539) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DVYJINLFECOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-4-13-16-14(18-17-13)15-9(2)12-8-10-5-6-11(12)7-10/h9-12H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 265.43 g/mol, XLogP of 3.73, 5 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-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).