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

C31H26FN5O2S — CID 59160834

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nc(-c4cnccn4)cs3)CCOCC2)cc1
InChIInChI=1S/C31H26FN5O2S/c32-24-8-3-20(4-9-24)22-5-10-25(33)26(17-22)36-29(38)21-1-6-23(7-2-21)31(11-15-39-16-12-31)30-37-28(19-40-30)27-18-34-13-14-35-27/h1-10,13-14,17-19H,11-12,15-16,33H2,(H,36,38)
InChIKeyZNDPZHHGMGEINF-UHFFFAOYSA-N
MW551.65 g/mol
LogP6.34
Rot. Bonds6

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

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (PubChem CID 59160834) has the molecular formula C31H26FN5O2S and a molecular weight of 551.65 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
PubChem CID59160834
Molecular FormulaC31H26FN5O2S
Molecular Weight551.65 g/mol
Exact Mass551.18
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nc(-c4cnccn4)cs3)CCOCC2)cc1
InChIInChI=1S/C31H26FN5O2S/c32-24-8-3-20(4-9-24)22-5-10-25(33)26(17-22)36-29(38)21-1-6-23(7-2-21)31(11-15-39-16-12-31)30-37-28(19-40-30)27-18-34-13-14-35-27/h1-10,13-14,17-19H,11-12,15-16,33H2,(H,36,38)
InChIKeyZNDPZHHGMGEINF-UHFFFAOYSA-N
XLogP6.34
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]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-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (CID 59160834) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nc(-c4cnccn4)cs3)CCOCC2)cc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The InChIKey is ZNDPZHHGMGEINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O2S/c32-24-8-3-20(4-9-24)22-5-10-25(33)26(17-22)36-29(38)21-1-6-23(7-2-21)31(11-15-39-16-12-31)30-37-28(19-40-30)27-18-34-13-14-35-27/h1-10,13-14,17-19H,11-12,15-16,33H2,(H,36,38).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 551.65 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(4-pyrazin-2-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 59160834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).