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

C9H6F3N3O2S — CID 18105678

IUPAC5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnc2sccn2c1=O
InChIInChI=1S/C9H6F3N3O2S/c10-9(11,12)4-14-6(16)5-3-13-8-15(7(5)17)1-2-18-8/h1-3H,4H2,(H,14,16)
InChIKeySMGQKILYTHJECT-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.05
Rot. Bonds2

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

5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 18105678) has the molecular formula C9H6F3N3O2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID18105678
Molecular FormulaC9H6F3N3O2S
Molecular Weight277.23 g/mol
Exact Mass277.01
IUPAC Name5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(F)(F)F)c1cnc2sccn2c1=O
InChIInChI=1S/C9H6F3N3O2S/c10-9(11,12)4-14-6(16)5-3-13-8-15(7(5)17)1-2-18-8/h1-3H,4H2,(H,14,16)
InChIKeySMGQKILYTHJECT-UHFFFAOYSA-N
XLogP1.05
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 18105678) is 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(F)(F)F)c1cnc2sccn2c1=O.
What is the InChIKey of 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SMGQKILYTHJECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2S/c10-9(11,12)4-14-6(16)5-3-13-8-15(7(5)17)1-2-18-8/h1-3H,4H2,(H,14,16).
What are the key properties of 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 277.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 18105678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).