2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole

C10H13FN2S — CID 165353089

IUPAC2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole
SMILESCC1CC2CC(c3cnc(F)s3)N1C2
InChIInChI=1S/C10H13FN2S/c1-6-2-7-3-8(13(6)5-7)9-4-12-10(11)14-9/h4,6-8H,2-3,5H2,1H3
InChIKeyCWQHTHTULGXVDZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.44
Rot. Bonds1

About 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole

2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole (PubChem CID 165353089) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole
PubChem CID165353089
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole
SMILESCC1CC2CC(c3cnc(F)s3)N1C2
InChIInChI=1S/C10H13FN2S/c1-6-2-7-3-8(13(6)5-7)9-4-12-10(11)14-9/h4,6-8H,2-3,5H2,1H3
InChIKeyCWQHTHTULGXVDZ-UHFFFAOYSA-N
XLogP2.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole?
The IUPAC name of 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole (CID 165353089) is 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole is CC1CC2CC(c3cnc(F)s3)N1C2.
What is the InChIKey of 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole?
The InChIKey is CWQHTHTULGXVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-6-2-7-3-8(13(6)5-7)9-4-12-10(11)14-9/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole?
2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole has a molecular weight of 212.29 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(6-methyl-1-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole is sourced from PubChem (CID 165353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).