7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C10H9ClFN3O2S — CID 118010763

IUPAC7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(CCl)c(F)c(=O)n12
InChIInChI=1S/C10H9ClFN3O2S/c1-4-7(8(16)13-2)15-9(17)6(12)5(3-11)14-10(15)18-4/h3H2,1-2H3,(H,13,16)
InChIKeyLLGWFGNWPOGGDB-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.30
Rot. Bonds2

About 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118010763) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118010763
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(CCl)c(F)c(=O)n12
InChIInChI=1S/C10H9ClFN3O2S/c1-4-7(8(16)13-2)15-9(17)6(12)5(3-11)14-10(15)18-4/h3H2,1-2H3,(H,13,16)
InChIKeyLLGWFGNWPOGGDB-UHFFFAOYSA-N
XLogP1.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118010763) is 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C)sc2nc(CCl)c(F)c(=O)n12.
What is the InChIKey of 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is LLGWFGNWPOGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-4-7(8(16)13-2)15-9(17)6(12)5(3-11)14-10(15)18-4/h3H2,1-2H3,(H,13,16).
What are the key properties of 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-fluoro-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118010763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).