2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide

C23H19N7O2S2 — CID 44520572

IUPAC2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(-c4ccsc4)cc3)cs2)N2CCN=C12
InChIInChI=1S/C23H19N7O2S2/c1-28-21(32)19-20(30-8-7-24-23(28)30)25-13-29(19)10-18(31)27-22-26-17(12-34-22)15-4-2-14(3-5-15)16-6-9-33-11-16/h2-6,9,11-13H,7-8,10H2,1H3,(H,26,27,31)
InChIKeyQXKGPYUYVGWQCF-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.64
Rot. Bonds5

About 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide

2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 44520572) has the molecular formula C23H19N7O2S2 and a molecular weight of 489.59 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID44520572
Molecular FormulaC23H19N7O2S2
Molecular Weight489.59 g/mol
Exact Mass489.10
IUPAC Name2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(-c4ccsc4)cc3)cs2)N2CCN=C12
InChIInChI=1S/C23H19N7O2S2/c1-28-21(32)19-20(30-8-7-24-23(28)30)25-13-29(19)10-18(31)27-22-26-17(12-34-22)15-4-2-14(3-5-15)16-6-9-33-11-16/h2-6,9,11-13H,7-8,10H2,1H3,(H,26,27,31)
InChIKeyQXKGPYUYVGWQCF-UHFFFAOYSA-N
XLogP3.64
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 44520736
2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 44520738
N-[4-[3,5-dichloro-4-(3,3,4,4,4-pentafluorobutoxy)phenyl]-1,3-thiazol-2-yl]-2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)acetamide
CID 44520018
N-[4-(4-tert-butylphenyl)phenyl]-2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)acetamide
CID 44518649
2-[(5-amino-8-methyl-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl)amino]-N-[4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 89120113
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-hydroxy-4-methyl-5H-imidazo[4,5-b]pyridin-1-yl)acetamide
CID 134544863
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(5-methyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 87424099
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41189976
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide (CID 44520572) is 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide is CN1C(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(-c4ccsc4)cc3)cs2)N2CCN=C12.
What is the InChIKey of 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QXKGPYUYVGWQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S2/c1-28-21(32)19-20(30-8-7-24-23(28)30)25-13-29(19)10-18(31)27-22-26-17(12-34-22)15-4-2-14(3-5-15)16-6-9-33-11-16/h2-6,9,11-13H,7-8,10H2,1H3,(H,26,27,31).
What are the key properties of 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 489.59 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-(4-thiophen-3-ylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 44520572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).