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

C14H10F3N3O3S — CID 3710924

IUPAC5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)23-9-3-1-8(2-4-9)19-11(21)10-7-18-13-20(12(10)22)5-6-24-13/h1-4,7H,5-6H2,(H,19,21)
InChIKeyFAWZUOWHYPGPHY-UHFFFAOYSA-N
MW357.31 g/mol
LogP2.50
Rot. Bonds3

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

5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3710924) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3710924
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC Name5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)23-9-3-1-8(2-4-9)19-11(21)10-7-18-13-20(12(10)22)5-6-24-13/h1-4,7H,5-6H2,(H,19,21)
InChIKeyFAWZUOWHYPGPHY-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3710924) is 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FAWZUOWHYPGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-14(16,17)23-9-3-1-8(2-4-9)19-11(21)10-7-18-13-20(12(10)22)5-6-24-13/h1-4,7H,5-6H2,(H,19,21).
What are the key properties of 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 357.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3710924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).