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

C10H12N2S — CID 79047218

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine
SMILESC1=CC2C(C1)CC2Nc1nccs1
InChIInChI=1S/C10H12N2S/c1-2-7-6-9(8(7)3-1)12-10-11-4-5-13-10/h1,3-5,7-9H,2,6H2,(H,11,12)
InChIKeyXLWXXFQGAWVCJV-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.52
Rot. Bonds2

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

N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine (PubChem CID 79047218) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine
PubChem CID79047218
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine
SMILESC1=CC2C(C1)CC2Nc1nccs1
InChIInChI=1S/C10H12N2S/c1-2-7-6-9(8(7)3-1)12-10-11-4-5-13-10/h1,3-5,7-9H,2,6H2,(H,11,12)
InChIKeyXLWXXFQGAWVCJV-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-thiazol-2-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine (CID 79047218) is N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine is C1=CC2C(C1)CC2Nc1nccs1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine?
The InChIKey is XLWXXFQGAWVCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-7-6-9(8(7)3-1)12-10-11-4-5-13-10/h1,3-5,7-9H,2,6H2,(H,11,12).
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine has a molecular weight of 192.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79047218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).