N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H9F4N3O2S — CID 4048016

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(=O)n12
InChIInChI=1S/C15H9F4N3O2S/c1-7-6-25-14-20-5-9(13(24)22(7)14)12(23)21-8-2-3-11(16)10(4-8)15(17,18)19/h2-6H,1H3,(H,21,23)
InChIKeyBPYIZUIAWFSWMD-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.47
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4048016) has the molecular formula C15H9F4N3O2S and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4048016
Molecular FormulaC15H9F4N3O2S
Molecular Weight371.32 g/mol
Exact Mass371.04
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(=O)n12
InChIInChI=1S/C15H9F4N3O2S/c1-7-6-25-14-20-5-9(13(24)22(7)14)12(23)21-8-2-3-11(16)10(4-8)15(17,18)19/h2-6H,1H3,(H,21,23)
InChIKeyBPYIZUIAWFSWMD-UHFFFAOYSA-N
XLogP3.47
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
N-(4-ethylphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4673121
7-[[3,5-Bis(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2490141
5-oxo-N-(m-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3242567
N-cyclohexyl-5-oxo-N-(m-tolyl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3245037
N-(3-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3410516
N-(2-ethylphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3561054
3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3682192
2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3886672
3-methyl-5-oxo-N-(m-tolyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4112639
N-(2,5-dimethylphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4130091

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4048016) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(=O)n12.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is BPYIZUIAWFSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2S/c1-7-6-25-14-20-5-9(13(24)22(7)14)12(23)21-8-2-3-11(16)10(4-8)15(17,18)19/h2-6H,1H3,(H,21,23).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4048016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).