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

C14H21N3S — CID 65271484

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)C1CC2CCC1C2
InChIInChI=1S/C14H21N3S/c1-8(12-7-9-2-3-11(12)6-9)15-14-16-13(17-18-14)10-4-5-10/h8-12H,2-7H2,1H3,(H,15,16,17)
InChIKeyVSCUGSJDSAUGMH-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.65
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271484) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65271484
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)C1CC2CCC1C2
InChIInChI=1S/C14H21N3S/c1-8(12-7-9-2-3-11(12)6-9)15-14-16-13(17-18-14)10-4-5-10/h8-12H,2-7H2,1H3,(H,15,16,17)
InChIKeyVSCUGSJDSAUGMH-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.65
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-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65271484) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VSCUGSJDSAUGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-8(12-7-9-2-3-11(12)6-9)15-14-16-13(17-18-14)10-4-5-10/h8-12H,2-7H2,1H3,(H,15,16,17).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 263.41 g/mol, XLogP of 3.65, 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-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).