3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H10ClF6N5OS — CID 118009652

IUPAC3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(N3CCC3)n12
InChIInChI=1S/C15H10ClF6N5OS/c16-9-5-8(14(17,18)19)24-26(9)6-7-4-10(28)27-12(25-2-1-3-25)11(15(20,21)22)29-13(27)23-7/h4-5H,1-3,6H2
InChIKeyURXXKOQIYCJGJR-UHFFFAOYSA-N
MW457.79 g/mol
LogP3.90
Rot. Bonds3

About 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118009652) has the molecular formula C15H10ClF6N5OS and a molecular weight of 457.79 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118009652
Molecular FormulaC15H10ClF6N5OS
Molecular Weight457.79 g/mol
Exact Mass457.02
IUPAC Name3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(N3CCC3)n12
InChIInChI=1S/C15H10ClF6N5OS/c16-9-5-8(14(17,18)19)24-26(9)6-7-4-10(28)27-12(25-2-1-3-25)11(15(20,21)22)29-13(27)23-7/h4-5H,1-3,6H2
InChIKeyURXXKOQIYCJGJR-UHFFFAOYSA-N
XLogP3.90
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.79
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118017739
7-[[5-Chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118017803
3-bromo-7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009247
7-[[3-chloro-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009415
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009499
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009557
3-Acetyl-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009577
3-bromo-2-chloro-7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118010290
2-chloro-7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N-ethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010394
7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-3-propanoyl-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118010433
3-acetyl-7-((5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2-methoxy-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 118010696
3-bromo-7-((3-chloro-5-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2-(trifluoromethyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 118010713

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118009652) is 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(Cn2nc(C(F)(F)F)cc2Cl)nc2sc(C(F)(F)F)c(N3CCC3)n12.
What is the InChIKey of 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is URXXKOQIYCJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6N5OS/c16-9-5-8(14(17,18)19)24-26(9)6-7-4-10(28)27-12(25-2-1-3-25)11(15(20,21)22)29-13(27)23-7/h4-5H,1-3,6H2.
What are the key properties of 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 457.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118009652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).