6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C6H5FN2OS — CID 3072007

IUPAC6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(F)cnc2n1CCS2
InChIInChI=1S/C6H5FN2OS/c7-4-3-8-6-9(5(4)10)1-2-11-6/h3H,1-2H2
InChIKeyXGRCKEXQDZKAQY-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.49
Rot. Bonds

About 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3072007) has the molecular formula C6H5FN2OS and a molecular weight of 172.18 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3072007
Molecular FormulaC6H5FN2OS
Molecular Weight172.18 g/mol
Exact Mass172.01
IUPAC Name6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(F)cnc2n1CCS2
InChIInChI=1S/C6H5FN2OS/c7-4-3-8-6-9(5(4)10)1-2-11-6/h3H,1-2H2
InChIKeyXGRCKEXQDZKAQY-UHFFFAOYSA-N
XLogP0.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3072007) is 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(F)cnc2n1CCS2.
What is the InChIKey of 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XGRCKEXQDZKAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2OS/c7-4-3-8-6-9(5(4)10)1-2-11-6/h3H,1-2H2.
What are the key properties of 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 172.18 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3072007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).