N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine

C11H15N3S — CID 107649415

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine
SMILESCC(Nc1cnns1)C1CC2C=CC1C2
InChIInChI=1S/C11H15N3S/c1-7(13-11-6-12-14-15-11)10-5-8-2-3-9(10)4-8/h2-3,6-10,13H,4-5H2,1H3
InChIKeyIGDRGMDXLBHOAN-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine (PubChem CID 107649415) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine
PubChem CID107649415
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine
SMILESCC(Nc1cnns1)C1CC2C=CC1C2
InChIInChI=1S/C11H15N3S/c1-7(13-11-6-12-14-15-11)10-5-8-2-3-9(10)4-8/h2-3,6-10,13H,4-5H2,1H3
InChIKeyIGDRGMDXLBHOAN-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
N-(2-methylpentan-3-yl)thiadiazol-5-amine
CID 107649680
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-bromo-3,5-dimethylaniline
CID 107571952
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
CID 43782750
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
CID 64792610
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43792498
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43779328
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43770525
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline
CID 43760993
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline
CID 43787868
N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine
CID 131002885

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine (CID 107649415) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine is CC(Nc1cnns1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine?
The InChIKey is IGDRGMDXLBHOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7(13-11-6-12-14-15-11)10-5-8-2-3-9(10)4-8/h2-3,6-10,13H,4-5H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine has a molecular weight of 221.33 g/mol, XLogP of 2.55, 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]hept-5-enyl)ethyl]thiadiazol-5-amine is sourced from PubChem (CID 107649415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).