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

C15H10F3N3O2S — CID 3682192

IUPAC3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n12
InChIInChI=1S/C15H10F3N3O2S/c1-8-7-24-14-19-6-11(13(23)21(8)14)12(22)20-10-4-2-9(3-5-10)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyLCMSUAWSBQKKFT-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.34
Rot. Bonds2

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

3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3682192) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3682192
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Name3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n12
InChIInChI=1S/C15H10F3N3O2S/c1-8-7-24-14-19-6-11(13(23)21(8)14)12(22)20-10-4-2-9(3-5-10)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyLCMSUAWSBQKKFT-UHFFFAOYSA-N
XLogP3.34
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3682192) is 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LCMSUAWSBQKKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c1-8-7-24-14-19-6-11(13(23)21(8)14)12(22)20-10-4-2-9(3-5-10)15(16,17)18/h2-7H,1H3,(H,20,22).
What are the key properties of 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3682192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).