3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H3F3N2OS — CID 142706129

IUPAC3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(C(F)(F)F)n12
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)4-3-14-6-11-2-1-5(13)12(4)6/h1-3H
InChIKeyGYTZWAFLYLKVNH-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.77
Rot. Bonds

About 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 142706129) has the molecular formula C7H3F3N2OS and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID142706129
Molecular FormulaC7H3F3N2OS
Molecular Weight220.18 g/mol
Exact Mass219.99
IUPAC Name3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2scc(C(F)(F)F)n12
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)4-3-14-6-11-2-1-5(13)12(4)6/h1-3H
InChIKeyGYTZWAFLYLKVNH-UHFFFAOYSA-N
XLogP1.77
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 142706129) is 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2scc(C(F)(F)F)n12.
What is the InChIKey of 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GYTZWAFLYLKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2OS/c8-7(9,10)4-3-14-6-11-2-1-5(13)12(4)6/h1-3H.
What are the key properties of 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 220.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 142706129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).