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

C11H14N2S — CID 61284836

IUPACN-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1nccs1
InChIInChI=1S/C11H14N2S/c1-2-8-6-10(9(8)3-1)13-7-11-12-4-5-14-11/h1,3-5,8-10,13H,2,6-7H2
InChIKeyDWAOYXBRDCVCPZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.20
Rot. Bonds3

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

N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 61284836) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID61284836
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCc1nccs1
InChIInChI=1S/C11H14N2S/c1-2-8-6-10(9(8)3-1)13-7-11-12-4-5-14-11/h1,3-5,8-10,13H,2,6-7H2
InChIKeyDWAOYXBRDCVCPZ-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.20
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-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 61284836) is N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is DWAOYXBRDCVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-8-6-10(9(8)3-1)13-7-11-12-4-5-14-11/h1,3-5,8-10,13H,2,6-7H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 206.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 61284836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).