N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide

C25H20FN3OS — CID 59160953

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nccs3)CC2)cc1
InChIInChI=1S/C25H20FN3OS/c26-20-8-3-16(4-9-20)18-5-10-21(27)22(15-18)29-23(30)17-1-6-19(7-2-17)25(11-12-25)24-28-13-14-31-24/h1-10,13-15H,11-12,27H2,(H,29,30)
InChIKeyFDNMCNBXETUAEZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.86
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide (PubChem CID 59160953) has the molecular formula C25H20FN3OS and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
PubChem CID59160953
Molecular FormulaC25H20FN3OS
Molecular Weight429.52 g/mol
Exact Mass429.13
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nccs3)CC2)cc1
InChIInChI=1S/C25H20FN3OS/c26-20-8-3-16(4-9-20)18-5-10-21(27)22(15-18)29-23(30)17-1-6-19(7-2-17)25(11-12-25)24-28-13-14-31-24/h1-10,13-15H,11-12,27H2,(H,29,30)
InChIKeyFDNMCNBXETUAEZ-UHFFFAOYSA-N
XLogP5.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide 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-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide (CID 59160953) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nccs3)CC2)cc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
The InChIKey is FDNMCNBXETUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3OS/c26-20-8-3-16(4-9-20)18-5-10-21(27)22(15-18)29-23(30)17-1-6-19(7-2-17)25(11-12-25)24-28-13-14-31-24/h1-10,13-15H,11-12,27H2,(H,29,30).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(1,3-thiazol-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 59160953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).