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

C9H8F3N3O3S — CID 81343610

IUPAC5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H8F3N3O3S/c10-9(11,12)4-18-14-6(16)5-3-13-8-15(7(5)17)1-2-19-8/h3H,1-2,4H2,(H,14,16)
InChIKeyIFLLMFCLPXYCSI-UHFFFAOYSA-N
MW295.24 g/mol
LogP0.57
Rot. Bonds3

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

5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 81343610) has the molecular formula C9H8F3N3O3S and a molecular weight of 295.24 g/mol. Its IUPAC name is 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID81343610
Molecular FormulaC9H8F3N3O3S
Molecular Weight295.24 g/mol
Exact Mass295.02
IUPAC Name5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C9H8F3N3O3S/c10-9(11,12)4-18-14-6(16)5-3-13-8-15(7(5)17)1-2-19-8/h3H,1-2,4H2,(H,14,16)
InChIKeyIFLLMFCLPXYCSI-UHFFFAOYSA-N
XLogP0.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 81343610) is 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NOCC(F)(F)F)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IFLLMFCLPXYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3S/c10-9(11,12)4-18-14-6(16)5-3-13-8-15(7(5)17)1-2-19-8/h3H,1-2,4H2,(H,14,16).
What are the key properties of 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 295.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2,2,2-trifluoroethoxy)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 81343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).