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

C₂₉H₂₂FN₅OS — CID 67503879

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

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide (PubChem CID 67503879) has the molecular formula C₂₉H₂₂FN₅OS and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide
• PubChem CID: 67503879
• Molecular Formula: C₂₉H₂₂FN₅OS
• Molecular Weight: 507.59 g/mol
• Exact Mass: 507.15
• IUPAC Name: N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide
• SMILES: Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nc(-c4cnccn4)cs3)CC2)cc1
• InChI: InChI=1S/C29H22FN5OS/c30-22-8-3-18(4-9-22)20-5-10-23(31)24(15-20)34-27(36)19-1-6-21(7-2-19)29(11-12-29)28-35-26(17-37-28)25-16-32-13-14-33-25/h1-10,13-17H,11-12,31H2,(H,34,36)
• InChIKey: QHXKUIYVDUJXJC-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide?

The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide (CID 67503879) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide.

What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide?

The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nc(-c4cnccn4)cs3)CC2)cc1.

What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide?

The InChIKey is QHXKUIYVDUJXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN5OS/c30-22-8-3-18(4-9-22)20-5-10-23(31)24(15-20)34-27(36)19-1-6-21(7-2-19)29(11-12-29)28-35-26(17-37-28)25-16-32-13-14-33-25/h1-10,13-17H,11-12,31H2,(H,34,36).

What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide?

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide has a molecular weight of 507.59 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[1-(4-pyrazin-2-yl-1,3-thiazol-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 67503879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67503879 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.