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

C12H12N6O3S — CID 742946

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2nccs2)n(C)c1=O
InChIInChI=1S/C12H12N6O3S/c1-16-9-8(10(20)17(2)12(16)21)18(6-14-9)5-7(19)15-11-13-3-4-22-11/h3-4,6H,5H2,1-2H3,(H,13,15,19)
InChIKeyMFFJBRVMBXDSLV-UHFFFAOYSA-N
MW320.33 g/mol
LogP-0.47
Rot. Bonds3

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

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 742946) has the molecular formula C12H12N6O3S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID742946
Molecular FormulaC12H12N6O3S
Molecular Weight320.33 g/mol
Exact Mass320.07
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2nccs2)n(C)c1=O
InChIInChI=1S/C12H12N6O3S/c1-16-9-8(10(20)17(2)12(16)21)18(6-14-9)5-7(19)15-11-13-3-4-22-11/h3-4,6H,5H2,1-2H3,(H,13,15,19)
InChIKeyMFFJBRVMBXDSLV-UHFFFAOYSA-N
XLogP-0.47
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-Methyl-7-(2-((4-methyl-1,3-thiazol-2-YL)sulfanyl)ethyl)-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
CID 662446
1,3-dimethylthiazolo[2,3-f]purine-2,4(1H,3H)-dione
CID 913284
N-thiazol-2-ylpyrazine-2-carboxamide
CID 470918
8-BR-3-ME-7-(2-((4-ME-1,3-Thiazol-2-YL)thio)ET)-3,7-dihydro-1H-purine-2,6-dione
CID 661370
7-(2-Methoxyethyl)-3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]purine-2,6-dione
CID 665918
5-methyl-N-(thiazol-2-yl)pyrazine-2-carboxamide
CID 2379361
5-Propionylamino-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388568
5-(2-Piperidin-1-yl-acetylamino)-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388590
5-(2-Dimethylamino-acetylamino)-thiazole-4-carboxylic acid thiazol-2-ylamide
CID 44388604
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CID 2990102
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3920242
7-Isopropyl-1,3-dimethyl-8-(1-methyl-1H-imidazol-2-ylsulfanyl)-3,7-dihydro-purine-2,6-dione
CID 645685

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 742946) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2nccs2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MFFJBRVMBXDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3S/c1-16-9-8(10(20)17(2)12(16)21)18(6-14-9)5-7(19)15-11-13-3-4-22-11/h3-4,6H,5H2,1-2H3,(H,13,15,19).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.33 g/mol, XLogP of -0.47, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 742946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).