N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide

C24H19ClN6OS — CID 11963118

IUPACN-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
SMILESCn1cnc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)c1-c1cc2c(N)ncnc2s1
InChIInChI=1S/C24H19ClN6OS/c1-31-13-29-21(22(31)19-11-17-23(26)27-12-28-24(17)33-19)15-6-4-7-16(9-15)30-20(32)10-14-5-2-3-8-18(14)25/h2-9,11-13H,10H2,1H3,(H,30,32)(H2,26,27,28)
InChIKeyCYOKOSVBPOAYJN-UHFFFAOYSA-N
MW474.98 g/mol
LogP5.18
Rot. Bonds5

About N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide

N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide (PubChem CID 11963118) has the molecular formula C24H19ClN6OS and a molecular weight of 474.98 g/mol. Its IUPAC name is N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
PubChem CID11963118
Molecular FormulaC24H19ClN6OS
Molecular Weight474.98 g/mol
Exact Mass474.10
IUPAC NameN-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide
SMILESCn1cnc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)c1-c1cc2c(N)ncnc2s1
InChIInChI=1S/C24H19ClN6OS/c1-31-13-29-21(22(31)19-11-17-23(26)27-12-28-24(17)33-19)15-6-4-7-16(9-15)30-20(32)10-14-5-2-3-8-18(14)25/h2-9,11-13H,10H2,1H3,(H,30,32)(H2,26,27,28)
InChIKeyCYOKOSVBPOAYJN-UHFFFAOYSA-N
XLogP5.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.98
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide (CID 11963118) is N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide is Cn1cnc(-c2cccc(NC(=O)Cc3ccccc3Cl)c2)c1-c1cc2c(N)ncnc2s1.
What is the InChIKey of N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is CYOKOSVBPOAYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6OS/c1-31-13-29-21(22(31)19-11-17-23(26)27-12-28-24(17)33-19)15-6-4-7-16(9-15)30-20(32)10-14-5-2-3-8-18(14)25/h2-9,11-13H,10H2,1H3,(H,30,32)(H2,26,27,28).
What are the key properties of N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide?
N-[3-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 474.98 g/mol, XLogP of 5.18, 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-aminothieno[2,3-d]pyrimidin-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 11963118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).