(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate

C15H9F3N2O3S — CID 3423944

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)10-3-1-9(2-4-10)13(22)23-8-11-7-12(21)20-5-6-24-14(20)19-11/h1-7H,8H2
InChIKeyYWSFOFKFFNYCTC-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.13
Rot. Bonds3

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate (PubChem CID 3423944) has the molecular formula C15H9F3N2O3S and a molecular weight of 354.31 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate
PubChem CID3423944
Molecular FormulaC15H9F3N2O3S
Molecular Weight354.31 g/mol
Exact Mass354.03
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate
SMILESO=C(OCc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)10-3-1-9(2-4-10)13(22)23-8-11-7-12(21)20-5-6-24-14(20)19-11/h1-7H,8H2
InChIKeyYWSFOFKFFNYCTC-UHFFFAOYSA-N
XLogP3.13
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate (CID 3423944) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate is O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate?
The InChIKey is YWSFOFKFFNYCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3S/c16-15(17,18)10-3-1-9(2-4-10)13(22)23-8-11-7-12(21)20-5-6-24-14(20)19-11/h1-7H,8H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate has a molecular weight of 354.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 3423944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).