7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione

C19H19N5O4S — CID 40507450

IUPAC7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
SMILESCOc1cccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)c1OC
InChIInChI=1S/C19H19N5O4S/c1-22-16-14(18(25)23(2)19(22)26)24(10-20-16)8-11-9-29-17(21-11)12-6-5-7-13(27-3)15(12)28-4/h5-7,9-10H,8H2,1-4H3
InChIKeyUVQVKPVPMXMEMX-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.62
Rot. Bonds5

About 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione

7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 40507450) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
PubChem CID40507450
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
SMILESCOc1cccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)c1OC
InChIInChI=1S/C19H19N5O4S/c1-22-16-14(18(25)23(2)19(22)26)24(10-20-16)8-11-9-29-17(21-11)12-6-5-7-13(27-3)15(12)28-4/h5-7,9-10H,8H2,1-4H3
InChIKeyUVQVKPVPMXMEMX-UHFFFAOYSA-N
XLogP1.62
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

1,3-dimethyl-7-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione
CID 22110374
8-bromo-9-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 30807919
3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 38966908
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 40672171
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 17483318
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 29408926
7-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 146136750
2-(2,3-dimethoxyphenyl)-4-[(2-methylsulfonylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 30835362
1-(2-chlorophenyl)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]tetrazol-5-one
CID 46583665
2-(2,3-dimethoxyphenyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 112801377
7-[(7-fluoro-1-benzothiophen-3-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 86778744

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione (CID 40507450) is 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione is COc1cccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)c1OC.
What is the InChIKey of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is UVQVKPVPMXMEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-22-16-14(18(25)23(2)19(22)26)24(10-20-16)8-11-9-29-17(21-11)12-6-5-7-13(27-3)15(12)28-4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione?
7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 413.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 40507450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).