2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide

C15H11ClFN3O2S — CID 16933551

IUPAC2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H11ClFN3O2S/c1-7-6-23-15-18-8(2)12(14(22)20(7)15)19-13(21)11-9(16)4-3-5-10(11)17/h3-6H,1-2H3,(H,19,21)
InChIKeyQAVFOQLDXWMYBW-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide

2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide (PubChem CID 16933551) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide
PubChem CID16933551
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide
SMILESCc1nc2scc(C)n2c(=O)c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H11ClFN3O2S/c1-7-6-23-15-18-8(2)12(14(22)20(7)15)19-13(21)11-9(16)4-3-5-10(11)17/h3-6H,1-2H3,(H,19,21)
InChIKeyQAVFOQLDXWMYBW-UHFFFAOYSA-N
XLogP3.42
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide (CID 16933551) is 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide is Cc1nc2scc(C)n2c(=O)c1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide?
The InChIKey is QAVFOQLDXWMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c1-7-6-23-15-18-8(2)12(14(22)20(7)15)19-13(21)11-9(16)4-3-5-10(11)17/h3-6H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide?
2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide has a molecular weight of 351.79 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide is sourced from PubChem (CID 16933551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).