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

C14H8F3N3O2S — CID 4147466

IUPAC5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)8-2-1-3-9(6-8)19-11(21)10-7-18-13-20(12(10)22)4-5-23-13/h1-7H,(H,19,21)
InChIKeyNQVXULBYPKYMNV-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.03
Rot. Bonds2

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

5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4147466) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4147466
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC Name5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)8-2-1-3-9(6-8)19-11(21)10-7-18-13-20(12(10)22)4-5-23-13/h1-7H,(H,19,21)
InChIKeyNQVXULBYPKYMNV-UHFFFAOYSA-N
XLogP3.03
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.03
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
3-methyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 3406118
3-Methyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4129028
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
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
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
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

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4147466) is 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NQVXULBYPKYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)8-2-1-3-9(6-8)19-11(21)10-7-18-13-20(12(10)22)4-5-23-13/h1-7H,(H,19,21).
What are the key properties of 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 339.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4147466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).