5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole

C9H11FN2S — CID 91381597

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole
SMILESFc1ncc(C2CC3CCC2N3)s1
InChIInChI=1S/C9H11FN2S/c10-9-11-4-8(13-9)6-3-5-1-2-7(6)12-5/h4-7,12H,1-3H2
InChIKeySYZGBKDVNYTOHF-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.89
Rot. Bonds1

About 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole

5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole (PubChem CID 91381597) has the molecular formula C9H11FN2S and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole
PubChem CID91381597
Molecular FormulaC9H11FN2S
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole
SMILESFc1ncc(C2CC3CCC2N3)s1
InChIInChI=1S/C9H11FN2S/c10-9-11-4-8(13-9)6-3-5-1-2-7(6)12-5/h4-7,12H,1-3H2
InChIKeySYZGBKDVNYTOHF-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-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 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole (CID 91381597) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole is Fc1ncc(C2CC3CCC2N3)s1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole?
The InChIKey is SYZGBKDVNYTOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2S/c10-9-11-4-8(13-9)6-3-5-1-2-7(6)12-5/h4-7,12H,1-3H2.
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole?
5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole has a molecular weight of 198.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-1,3-thiazole is sourced from PubChem (CID 91381597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).