2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide

C25H20N6O3S — CID 112845844

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc4c(c3)Cc3ccccc3-4)cs1)c(=O)n2C
InChIInChI=1S/C25H20N6O3S/c1-29-13-26-22-21(29)23(33)31(25(34)30(22)2)11-20(32)28-24-27-19(12-35-24)15-7-8-18-16(10-15)9-14-5-3-4-6-17(14)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28,32)
InChIKeyJQLVCSLLWHNNHI-UHFFFAOYSA-N
MW484.54 g/mol
LogP2.77
Rot. Bonds4

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 112845844) has the molecular formula C25H20N6O3S and a molecular weight of 484.54 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID112845844
Molecular FormulaC25H20N6O3S
Molecular Weight484.54 g/mol
Exact Mass484.13
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc4c(c3)Cc3ccccc3-4)cs1)c(=O)n2C
InChIInChI=1S/C25H20N6O3S/c1-29-13-26-22-21(29)23(33)31(25(34)30(22)2)11-20(32)28-24-27-19(12-35-24)15-7-8-18-16(10-15)9-14-5-3-4-6-17(14)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28,32)
InChIKeyJQLVCSLLWHNNHI-UHFFFAOYSA-N
XLogP2.77
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-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-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylphenyl)acetamide
CID 26727406
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9H-fluoren-2-yl)acetamide
CID 26889875
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
N-ethyl-4-(9H-fluoren-2-yl)-1,3-thiazol-2-amine
CID 63472982
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29324156
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-methylphenyl)acetamide
CID 26914167
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 35848049
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 26696316
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16592785
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,4,5-trichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 122635853
N-[3-[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532137
bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[3-fluoro-4-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide);hydrochloride
CID 158393057

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide (CID 112845844) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide is Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc4c(c3)Cc3ccccc3-4)cs1)c(=O)n2C.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JQLVCSLLWHNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3S/c1-29-13-26-22-21(29)23(33)31(25(34)30(22)2)11-20(32)28-24-27-19(12-35-24)15-7-8-18-16(10-15)9-14-5-3-4-6-17(14)18/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28,32).
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 484.54 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 112845844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).