N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide

C23H19ClN7OS+ — CID 91465711

IUPACN-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
SMILESCn1cnc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)c1-c1csc2ncnc(N)[n+]12
InChIInChI=1S/C23H18ClN7OS/c1-30-13-28-20(21(30)18-11-33-23-27-12-26-22(25)31(18)23)15-6-4-7-16(9-15)29-19(32)10-14-5-2-3-8-17(14)24/h2-9,11-13,25H,10H2,1H3,(H,29,32)/p+1
InChIKeyUMLZIOJQHNVFMX-UHFFFAOYSA-O
MW476.97 g/mol
LogP3.76
Rot. Bonds5

About N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide

N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide (PubChem CID 91465711) has the molecular formula C23H19ClN7OS+ and a molecular weight of 476.97 g/mol. Its IUPAC name is N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
PubChem CID91465711
Molecular FormulaC23H19ClN7OS+
Molecular Weight476.97 g/mol
Exact Mass476.11
IUPAC NameN-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
SMILESCn1cnc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)c1-c1csc2ncnc(N)[n+]12
InChIInChI=1S/C23H18ClN7OS/c1-30-13-28-20(21(30)18-11-33-23-27-12-26-22(25)31(18)23)15-6-4-7-16(9-15)29-19(32)10-14-5-2-3-8-17(14)24/h2-9,11-13,25H,10H2,1H3,(H,29,32)/p+1
InChIKeyUMLZIOJQHNVFMX-UHFFFAOYSA-O
XLogP3.76
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)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

N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(3-fluorophenyl)acetamide
CID 91168048
N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
CID 11963118
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
phenyl N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]carbamate
CID 10252795
N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide
CID 22594939
N-[3-aminosulfanyl-4-[(3-methylimidazol-4-yl)oxymethyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200508
N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925213
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
2-(2-chlorophenyl)-N-[4-[(4,5-dichloro-1-methylpyrazol-3-yl)oxymethyl]-3-sulfamoylphenyl]acetamide
CID 164596484
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide (CID 91465711) is N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide is Cn1cnc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)c1-c1csc2ncnc(N)[n+]12.
What is the InChIKey of N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is UMLZIOJQHNVFMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H18ClN7OS/c1-30-13-28-20(21(30)18-11-33-23-27-12-26-22(25)31(18)23)15-6-4-7-16(9-15)29-19(32)10-14-5-2-3-8-17(14)24/h2-9,11-13,25H,10H2,1H3,(H,29,32)/p+1.
What are the key properties of N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 476.97 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 91465711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).