2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

C13H11F2N5O2S — CID 157016053

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1cnc2sccn2c1=O
InChIInChI=1S/C13H11F2N5O2S/c1-7-4-8(11(14)15)18-20(7)6-10(21)17-9-5-16-13-19(12(9)22)2-3-23-13/h2-5,11H,6H2,1H3,(H,17,21)
InChIKeyFJFNUEVJSIHJGN-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.84
Rot. Bonds4

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (PubChem CID 157016053) has the molecular formula C13H11F2N5O2S and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
PubChem CID157016053
Molecular FormulaC13H11F2N5O2S
Molecular Weight339.33 g/mol
Exact Mass339.06
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1cnc2sccn2c1=O
InChIInChI=1S/C13H11F2N5O2S/c1-7-4-8(11(14)15)18-20(7)6-10(21)17-9-5-16-13-19(12(9)22)2-3-23-13/h2-5,11H,6H2,1H3,(H,17,21)
InChIKeyFJFNUEVJSIHJGN-UHFFFAOYSA-N
XLogP1.84
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide (CID 157016053) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is Cc1cc(C(F)F)nn1CC(=O)Nc1cnc2sccn2c1=O.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
The InChIKey is FJFNUEVJSIHJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2S/c1-7-4-8(11(14)15)18-20(7)6-10(21)17-9-5-16-13-19(12(9)22)2-3-23-13/h2-5,11H,6H2,1H3,(H,17,21).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide has a molecular weight of 339.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 157016053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).