bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole

C16H10FNOS — CID 174768764

IUPACbicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nccs2)cc1.O=c1c2ccccc12
InChIInChI=1S/C9H6FNS.C7H4O/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;8-7-5-3-1-2-4-6(5)7/h1-6H;1-4H
InChIKeyQVIFMEURWHQBFV-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.02
Rot. Bonds1

About bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole

bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 174768764) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
PubChem CID174768764
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nccs2)cc1.O=c1c2ccccc12
InChIInChI=1S/C9H6FNS.C7H4O/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;8-7-5-3-1-2-4-6(5)7/h1-6H;1-4H
InChIKeyQVIFMEURWHQBFV-UHFFFAOYSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole (CID 174768764) is bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2nccs2)cc1.O=c1c2ccccc12.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is QVIFMEURWHQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNS.C7H4O/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;8-7-5-3-1-2-4-6(5)7/h1-6H;1-4H.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole?
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 283.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-trien-7-one;2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 174768764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).