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

C10H9ClFN3O2S — CID 122438431

IUPAC7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1csc2nc(CCl)c(F)c(=O)n12
InChIInChI=1S/C10H9ClFN3O2S/c1-14(2)8(16)6-4-18-10-13-5(3-11)7(12)9(17)15(6)10/h4H,3H2,1-2H3
InChIKeyLMNCXWQJLHRTPE-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.34
Rot. Bonds2

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

7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 122438431) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID122438431
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1csc2nc(CCl)c(F)c(=O)n12
InChIInChI=1S/C10H9ClFN3O2S/c1-14(2)8(16)6-4-18-10-13-5(3-11)7(12)9(17)15(6)10/h4H,3H2,1-2H3
InChIKeyLMNCXWQJLHRTPE-UHFFFAOYSA-N
XLogP1.34
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.34
H-Bond Donors ≤ 50
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,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 122438431) is 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1csc2nc(CCl)c(F)c(=O)n12.
What is the InChIKey of 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is LMNCXWQJLHRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c1-14(2)8(16)6-4-18-10-13-5(3-11)7(12)9(17)15(6)10/h4H,3H2,1-2H3.
What are the key properties of 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-fluoro-N,N-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122438431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).