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

C11H17N3S — CID 65271482

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1ncns1)C1CC2CCC1C2
InChIInChI=1S/C11H17N3S/c1-7(14-11-12-6-13-15-11)10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,12,13,14)
InChIKeyFPXSEIUHCXMGGR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.77
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271482) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271482
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1ncns1)C1CC2CCC1C2
InChIInChI=1S/C11H17N3S/c1-7(14-11-12-6-13-15-11)10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,12,13,14)
InChIKeyFPXSEIUHCXMGGR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304673
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268313
N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65271257
N-[(4-ethylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271294
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65271430
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271483
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271484
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271539
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271540
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272772
N-[2-(4-methylcyclohexyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273765
N-(2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
CID 65273767

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65271482) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine is CC(Nc1ncns1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is FPXSEIUHCXMGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(14-11-12-6-13-15-11)10-5-8-2-3-9(10)4-8/h6-10H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 223.34 g/mol, XLogP of 2.77, 3 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]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).