2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C14H9F2N3O2S — CID 16933432

IUPAC2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H9F2N3O2S/c1-7-11(13(21)19-5-6-22-14(19)17-7)18-12(20)10-8(15)3-2-4-9(10)16/h2-6H,1H3,(H,18,20)
InChIKeyZWDYMFJXUBYUNR-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.59
Rot. Bonds2

About 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 16933432) has the molecular formula C14H9F2N3O2S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID16933432
Molecular FormulaC14H9F2N3O2S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H9F2N3O2S/c1-7-11(13(21)19-5-6-22-14(19)17-7)18-12(20)10-8(15)3-2-4-9(10)16/h2-6H,1H3,(H,18,20)
InChIKeyZWDYMFJXUBYUNR-UHFFFAOYSA-N
XLogP2.59
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 16933432) is 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1nc2sccn2c(=O)c1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is ZWDYMFJXUBYUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O2S/c1-7-11(13(21)19-5-6-22-14(19)17-7)18-12(20)10-8(15)3-2-4-9(10)16/h2-6H,1H3,(H,18,20).
What are the key properties of 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 321.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 16933432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).