8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

C15H19N5O2S — CID 15750277

IUPAC8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3csc(C)n3)nc2n(CCC)c1=O
InChIInChI=1S/C15H19N5O2S/c1-4-6-19-13-11(14(21)20(7-5-2)15(19)22)17-12(18-13)10-8-23-9(3)16-10/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyKLNMDWXOKKWGJH-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.14
Rot. Bonds5

About 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione (PubChem CID 15750277) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
PubChem CID15750277
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione
SMILESCCCn1c(=O)c2[nH]c(-c3csc(C)n3)nc2n(CCC)c1=O
InChIInChI=1S/C15H19N5O2S/c1-4-6-19-13-11(14(21)20(7-5-2)15(19)22)17-12(18-13)10-8-23-9(3)16-10/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyKLNMDWXOKKWGJH-UHFFFAOYSA-N
XLogP2.14
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
8-(1-Azepanyl)-3-methyl-7-(2-((4-methyl-1,3-thiazol-2-YL)sulfanyl)ethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 1396970
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
1,9-dihydro-8-(4-thiazolyl)-6H-Purin-6-one
CID 136498762
3-[3-(2-Amino-1,3-thiazol-4-yl)prop-2-ynyl]-1,7-dimethylpurine-2,6-dione
CID 172462862
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 700826
7-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 30992550
7-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 71855962
1-(1H-imidazol-5-ylcarbonyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine
CID 91792758
1,3-Dimethyl-7-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]purine-2,6-dione
CID 136517240

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The IUPAC name of 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione (CID 15750277) is 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione is CCCn1c(=O)c2[nH]c(-c3csc(C)n3)nc2n(CCC)c1=O.
What is the InChIKey of 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione?
The InChIKey is KLNMDWXOKKWGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-4-6-19-13-11(14(21)20(7-5-2)15(19)22)17-12(18-13)10-8-23-9(3)16-10/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione?
8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione has a molecular weight of 333.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1,3-thiazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione is sourced from PubChem (CID 15750277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).