6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H26FN3O2S — CID 15586433

IUPAC6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sc(C)c(C)n2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O2S/c1-14-20(22(29)27-15(2)16(3)30-23(27)25-14)10-13-26-11-8-18(9-12-26)21(28)17-4-6-19(24)7-5-17/h4-7,18H,8-13H2,1-3H3
InChIKeyJLOSQKXTKQQDNQ-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.96
Rot. Bonds5

About 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 15586433) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID15586433
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC Name6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sc(C)c(C)n2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O2S/c1-14-20(22(29)27-15(2)16(3)30-23(27)25-14)10-13-26-11-8-18(9-12-26)21(28)17-4-6-19(24)7-5-17/h4-7,18H,8-13H2,1-3H3
InChIKeyJLOSQKXTKQQDNQ-UHFFFAOYSA-N
XLogP3.96
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 15586433) is 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sc(C)c(C)n2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JLOSQKXTKQQDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-14-20(22(29)27-15(2)16(3)30-23(27)25-14)10-13-26-11-8-18(9-12-26)21(28)17-4-6-19(24)7-5-17/h4-7,18H,8-13H2,1-3H3.
What are the key properties of 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 427.55 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,3,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 15586433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).