7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione

C17H14N4O4S — CID 71440583

IUPAC7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione
SMILESCOc1ccc(C=c2sc3nc4c(c(=O)n(C)c(=O)n4C)n3c2=O)cc1
InChIInChI=1S/C17H14N4O4S/c1-19-13-12(15(23)20(2)17(19)24)21-14(22)11(26-16(21)18-13)8-9-4-6-10(25-3)7-5-9/h4-8H,1-3H3
InChIKeyCTSGCZNWEMFABQ-UHFFFAOYSA-N
MW370.39 g/mol
LogP-0.14
Rot. Bonds2

About 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione

7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione (PubChem CID 71440583) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione
PubChem CID71440583
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione
SMILESCOc1ccc(C=c2sc3nc4c(c(=O)n(C)c(=O)n4C)n3c2=O)cc1
InChIInChI=1S/C17H14N4O4S/c1-19-13-12(15(23)20(2)17(19)24)21-14(22)11(26-16(21)18-13)8-9-4-6-10(25-3)7-5-9/h4-8H,1-3H3
InChIKeyCTSGCZNWEMFABQ-UHFFFAOYSA-N
XLogP-0.14
TPSA87.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4140170
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3308816
2-[(4-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4264144
[4-[(Z)-(5-oxo-3-pyridin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 18847862
8-[(4-methoxyphenyl)methoxy]-1,3,7-trimethylpurine-2,6-dione
CID 947545
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2256910
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3126656
2-(2-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3788048
4-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)oxybenzaldehyde
CID 162654602
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527417
2-[[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3769452

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione?
The IUPAC name of 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione (CID 71440583) is 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione.
What is the SMILES notation for 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione?
The canonical SMILES for 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione is COc1ccc(C=c2sc3nc4c(c(=O)n(C)c(=O)n4C)n3c2=O)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione?
The InChIKey is CTSGCZNWEMFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-19-13-12(15(23)20(2)17(19)24)21-14(22)11(26-16(21)18-13)8-9-4-6-10(25-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione?
7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione has a molecular weight of 370.39 g/mol, XLogP of -0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methylidene]-2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3,8-trione is sourced from PubChem (CID 71440583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).