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

C26H23FN4O2S — CID 59160842

IUPACN-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(C2(c3nc(-c4cccnc4)cs3)CCOCC2)cc1
InChIInChI=1S/C26H23FN4O2S/c27-20-7-8-21(28)22(14-20)30-24(32)17-3-5-19(6-4-17)26(9-12-33-13-10-26)25-31-23(16-34-25)18-2-1-11-29-15-18/h1-8,11,14-16H,9-10,12-13,28H2,(H,30,32)
InChIKeyCWIAEQSVKBBIEP-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.28
Rot. Bonds5

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

N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (PubChem CID 59160842) has the molecular formula C26H23FN4O2S and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
PubChem CID59160842
Molecular FormulaC26H23FN4O2S
Molecular Weight474.56 g/mol
Exact Mass474.15
IUPAC NameN-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(C2(c3nc(-c4cccnc4)cs3)CCOCC2)cc1
InChIInChI=1S/C26H23FN4O2S/c27-20-7-8-21(28)22(14-20)30-24(32)17-3-5-19(6-4-17)26(9-12-33-13-10-26)25-31-23(16-34-25)18-2-1-11-29-15-18/h1-8,11,14-16H,9-10,12-13,28H2,(H,30,32)
InChIKeyCWIAEQSVKBBIEP-UHFFFAOYSA-N
XLogP5.28
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-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-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (CID 59160842) is N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is Nc1ccc(F)cc1NC(=O)c1ccc(C2(c3nc(-c4cccnc4)cs3)CCOCC2)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The InChIKey is CWIAEQSVKBBIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2S/c27-20-7-8-21(28)22(14-20)30-24(32)17-3-5-19(6-4-17)26(9-12-33-13-10-26)25-31-23(16-34-25)18-2-1-11-29-15-18/h1-8,11,14-16H,9-10,12-13,28H2,(H,30,32).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 59160842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).