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

C20H25N3O4S — CID 46357890

IUPAC7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C20H25N3O4S/c1-5-6-22(13-15-11-18(24)23-7-8-28-20(23)21-15)12-14-9-16(25-2)19(27-4)17(10-14)26-3/h7-11H,5-6,12-13H2,1-4H3
InChIKeyVKPRSXGNJREYFT-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.19
Rot. Bonds9

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

7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46357890) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46357890
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C20H25N3O4S/c1-5-6-22(13-15-11-18(24)23-7-8-28-20(23)21-15)12-14-9-16(25-2)19(27-4)17(10-14)26-3/h7-11H,5-6,12-13H2,1-4H3
InChIKeyVKPRSXGNJREYFT-UHFFFAOYSA-N
XLogP3.19
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

7-[[2-methoxyethyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357945
7-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4882482
7-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18078834
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-[[benzyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357918
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787841
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357933
ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
CID 48559179
7-[[2-aminoethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 62686087
methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
CID 94797828
7-[[2-aminoethyl(2-phenylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120871527

Frequently Asked Questions

What is the IUPAC name of 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46357890) is 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCN(Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VKPRSXGNJREYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-5-6-22(13-15-11-18(24)23-7-8-28-20(23)21-15)12-14-9-16(25-2)19(27-4)17(10-14)26-3/h7-11H,5-6,12-13H2,1-4H3.
What are the key properties of 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 403.50 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46357890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).