N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide

C23H25N7O3S — CID 155802775

IUPACN-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide
SMILESCCN1C(=O)NC(=O)C2C1N=C(Cc1cn3cc(C)sc3n1)N2Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H25N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12,19-20H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33)
InChIKeyZJWPTQJYMDOBDV-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.39
Rot. Bonds6

About N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide

N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide (PubChem CID 155802775) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide
PubChem CID155802775
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC NameN-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide
SMILESCCN1C(=O)NC(=O)C2C1N=C(Cc1cn3cc(C)sc3n1)N2Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H25N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12,19-20H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33)
InChIKeyZJWPTQJYMDOBDV-UHFFFAOYSA-N
XLogP2.39
TPSA111.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide (CID 155802775) is N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide is CCN1C(=O)NC(=O)C2C1N=C(Cc1cn3cc(C)sc3n1)N2Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide?
The InChIKey is ZJWPTQJYMDOBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-4-29-20-19(21(32)27-22(29)33)30(11-15-5-7-16(8-6-15)24-14(3)31)18(26-20)9-17-12-28-10-13(2)34-23(28)25-17/h5-8,10,12,19-20H,4,9,11H2,1-3H3,(H,24,31)(H,27,32,33).
What are the key properties of N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide?
N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide has a molecular weight of 479.57 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 155802775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).