2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H14N6O3S — CID 3920242

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1
InChIInChI=1S/C13H14N6O3S/c1-7-4-14-12(23-7)16-8(20)5-19-6-15-10-9(19)11(21)18(3)13(22)17(10)2/h4,6H,5H2,1-3H3,(H,14,16,20)
InChIKeyNCYMEMCZQUKTBT-UHFFFAOYSA-N
MW334.36 g/mol
LogP-0.16
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3920242) has the molecular formula C13H14N6O3S and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3920242
Molecular FormulaC13H14N6O3S
Molecular Weight334.36 g/mol
Exact Mass334.08
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1
InChIInChI=1S/C13H14N6O3S/c1-7-4-14-12(23-7)16-8(20)5-19-6-15-10-9(19)11(21)18(3)13(22)17(10)2/h4,6H,5H2,1-3H3,(H,14,16,20)
InChIKeyNCYMEMCZQUKTBT-UHFFFAOYSA-N
XLogP-0.16
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 3920242) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NCYMEMCZQUKTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3S/c1-7-4-14-12(23-7)16-8(20)5-19-6-15-10-9(19)11(21)18(3)13(22)17(10)2/h4,6H,5H2,1-3H3,(H,14,16,20).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 334.36 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3920242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).