7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C25H27N3O4S — CID 46357918

IUPAC7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc(OC)c1OC
InChIInChI=1S/C25H27N3O4S/c1-17-13-28-23(29)12-20(26-25(28)33-17)16-27(14-18-8-6-5-7-9-18)15-19-10-21(30-2)24(32-4)22(11-19)31-3/h5-13H,14-16H2,1-4H3
InChIKeyFQJVFSUPEWTOQT-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.29
Rot. Bonds9

About 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46357918) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46357918
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc(OC)c1OC
InChIInChI=1S/C25H27N3O4S/c1-17-13-28-23(29)12-20(26-25(28)33-17)16-27(14-18-8-6-5-7-9-18)15-19-10-21(30-2)24(32-4)22(11-19)31-3/h5-13H,14-16H2,1-4H3
InChIKeyFQJVFSUPEWTOQT-UHFFFAOYSA-N
XLogP4.29
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[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 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46357918) is 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc(OC)c1OC.
What is the InChIKey of 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FQJVFSUPEWTOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17-13-28-23(29)12-20(26-25(28)33-17)16-27(14-18-8-6-5-7-9-18)15-19-10-21(30-2)24(32-4)22(11-19)31-3/h5-13H,14-16H2,1-4H3.
What are the key properties of 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 465.58 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46357918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).