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

C7H3F3N2OS — CID 118009562

IUPAC7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)F)nc2sccn12
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)4-3-5(13)12-1-2-14-6(12)11-4/h1-3H
InChIKeyPHVNAHIAVACJMS-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.77
Rot. Bonds

About 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118009562) has the molecular formula C7H3F3N2OS and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118009562
Molecular FormulaC7H3F3N2OS
Molecular Weight220.18 g/mol
Exact Mass219.99
IUPAC Name7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(C(F)(F)F)nc2sccn12
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)4-3-5(13)12-1-2-14-6(12)11-4/h1-3H
InChIKeyPHVNAHIAVACJMS-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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Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1486660
7-(1,1,2,2,3,3,3-Heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 10519708
7-[Chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 10657488
5-[Chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 10752329
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 10758012
2,3-Dihydro-7-(trifluoromethyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 17122085
6-Methyl-7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 59283988
2-(Trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009560
3-Ethenyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907687
3-(Trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 142706129
6-Bromo-7-(trifluoromethyl)-5H-thiazolo[3,2-A]pyrimidin-5-one
CID 156409779

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118009562) is 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(C(F)(F)F)nc2sccn12.
What is the InChIKey of 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PHVNAHIAVACJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2OS/c8-7(9,10)4-3-5(13)12-1-2-14-6(12)11-4/h1-3H.
What are the key properties of 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(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 7-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118009562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).