N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine

C9H11N3S — CID 107648685

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine
SMILESC1=CC2C(C1)CC2Nc1nncs1
InChIInChI=1S/C9H11N3S/c1-2-6-4-8(7(6)3-1)11-9-12-10-5-13-9/h1,3,5-8H,2,4H2,(H,11,12)
InChIKeyJXGFAZDTWKZKJO-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.91
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648685) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine
PubChem CID107648685
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine
SMILESC1=CC2C(C1)CC2Nc1nncs1
InChIInChI=1S/C9H11N3S/c1-2-6-4-8(7(6)3-1)11-9-12-10-5-13-9/h1,3,5-8H,2,4H2,(H,11,12)
InChIKeyJXGFAZDTWKZKJO-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine (CID 107648685) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine is C1=CC2C(C1)CC2Nc1nncs1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JXGFAZDTWKZKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-6-4-8(7(6)3-1)11-9-12-10-5-13-9/h1,3,5-8H,2,4H2,(H,11,12).
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 193.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).