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

C20H16F3N7O3S — CID 44520736

IUPAC2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)N2CCN=C12
InChIInChI=1S/C20H16F3N7O3S/c1-28-17(32)15-16(30-7-6-24-19(28)30)25-10-29(15)8-14(31)27-18-26-13(9-34-18)11-2-4-12(5-3-11)33-20(21,22)23/h2-5,9-10H,6-8H2,1H3,(H,26,27,31)
InChIKeyOQKOKKRVOALSDD-UHFFFAOYSA-N
MW491.46 g/mol
LogP2.81
Rot. Bonds5

About 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

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 (PubChem CID 44520736) has the molecular formula C20H16F3N7O3S and a molecular weight of 491.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID44520736
Molecular FormulaC20H16F3N7O3S
Molecular Weight491.46 g/mol
Exact Mass491.10
IUPAC Name2-(5-methyl-4-oxo-7,8-dihydroimidazo[2,1-b]purin-3-yl)-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCN1C(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)N2CCN=C12
InChIInChI=1S/C20H16F3N7O3S/c1-28-17(32)15-16(30-7-6-24-19(28)30)25-10-29(15)8-14(31)27-18-26-13(9-34-18)11-2-4-12(5-3-11)33-20(21,22)23/h2-5,9-10H,6-8H2,1H3,(H,26,27,31)
InChIKeyOQKOKKRVOALSDD-UHFFFAOYSA-N
XLogP2.81
TPSA104.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 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

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
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-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
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
7-sulfanyl-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]heptanamide
CID 90681247
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 959115
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32936666
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55757969
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

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-(trifluoromethoxy)phenyl]-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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 44520736) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccc(OC(F)(F)F)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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OQKOKKRVOALSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O3S/c1-28-17(32)15-16(30-7-6-24-19(28)30)25-10-29(15)8-14(31)27-18-26-13(9-34-18)11-2-4-12(5-3-11)33-20(21,22)23/h2-5,9-10H,6-8H2,1H3,(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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
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 has a molecular weight of 491.46 g/mol, XLogP of 2.81, 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-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 44520736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).