7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C9H3F7N2OS — CID 10519708

IUPAC7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sccn12
InChIInChI=1S/C9H3F7N2OS/c10-7(11,8(12,13)9(14,15)16)4-3-5(19)18-1-2-20-6(18)17-4/h1-3H
InChIKeyAARYMFAXMPDCSS-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.05
Rot. Bonds2

About 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 10519708) has the molecular formula C9H3F7N2OS and a molecular weight of 320.19 g/mol. Its IUPAC name is 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID10519708
Molecular FormulaC9H3F7N2OS
Molecular Weight320.19 g/mol
Exact Mass319.99
IUPAC Name7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sccn12
InChIInChI=1S/C9H3F7N2OS/c10-7(11,8(12,13)9(14,15)16)4-3-5(19)18-1-2-20-6(18)17-4/h1-3H
InChIKeyAARYMFAXMPDCSS-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one 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 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 10519708) is 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2sccn12.
What is the InChIKey of 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AARYMFAXMPDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F7N2OS/c10-7(11,8(12,13)9(14,15)16)4-3-5(19)18-1-2-20-6(18)17-4/h1-3H.
What are the key properties of 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 320.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1,2,2,3,3,3-heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 10519708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).