2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione

C9H8N4O2S — CID 913284

IUPAC2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
SMILESCn1c(=O)c2c(nc3sccn32)n(C)c1=O
InChIInChI=1S/C9H8N4O2S/c1-11-6-5(7(14)12(2)9(11)15)13-3-4-16-8(13)10-6/h3-4H,1-2H3
InChIKeyNUTIVQJAFDPWHQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.05
Rot. Bonds

About 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione

2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione (PubChem CID 913284) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
PubChem CID913284
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione
SMILESCn1c(=O)c2c(nc3sccn32)n(C)c1=O
InChIInChI=1S/C9H8N4O2S/c1-11-6-5(7(14)12(2)9(11)15)13-3-4-16-8(13)10-6/h3-4H,1-2H3
InChIKeyNUTIVQJAFDPWHQ-UHFFFAOYSA-N
XLogP-0.05
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
The IUPAC name of 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione (CID 913284) is 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione.
What is the SMILES notation for 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
The canonical SMILES for 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione is Cn1c(=O)c2c(nc3sccn32)n(C)c1=O.
What is the InChIKey of 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
The InChIKey is NUTIVQJAFDPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-11-6-5(7(14)12(2)9(11)15)13-3-4-16-8(13)10-6/h3-4H,1-2H3.
What are the key properties of 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione?
2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione has a molecular weight of 236.26 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpurino[8,7-b][1,3]thiazole-1,3-dione is sourced from PubChem (CID 913284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).