5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole

C12H8FN5S — CID 136949312

IUPAC5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole
SMILESFc1ccc(-c2nc3n(n2)C(c2cncs2)N3)cc1
InChIInChI=1S/C12H8FN5S/c13-8-3-1-7(2-4-8)10-15-12-16-11(18(12)17-10)9-5-14-6-19-9/h1-6,11H,(H,15,16,17)
InChIKeyHUZSWKCENIUDJG-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.51
Rot. Bonds2

About 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole

5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole (PubChem CID 136949312) has the molecular formula C12H8FN5S and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole
PubChem CID136949312
Molecular FormulaC12H8FN5S
Molecular Weight273.30 g/mol
Exact Mass273.05
IUPAC Name5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole
SMILESFc1ccc(-c2nc3n(n2)C(c2cncs2)N3)cc1
InChIInChI=1S/C12H8FN5S/c13-8-3-1-7(2-4-8)10-15-12-16-11(18(12)17-10)9-5-14-6-19-9/h1-6,11H,(H,15,16,17)
InChIKeyHUZSWKCENIUDJG-UHFFFAOYSA-N
XLogP2.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole?
The IUPAC name of 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole (CID 136949312) is 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole?
The canonical SMILES for 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole is Fc1ccc(-c2nc3n(n2)C(c2cncs2)N3)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole?
The InChIKey is HUZSWKCENIUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5S/c13-8-3-1-7(2-4-8)10-15-12-16-11(18(12)17-10)9-5-14-6-19-9/h1-6,11H,(H,15,16,17).
What are the key properties of 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole?
5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole has a molecular weight of 273.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-1,2,4,6-tetrazabicyclo[3.2.0]hepta-2,4-dien-7-yl]-1,3-thiazole is sourced from PubChem (CID 136949312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).