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

C27H24FN3O2S — CID 59160952

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nccs3)CCOCC2)cc1
InChIInChI=1S/C27H24FN3O2S/c28-22-8-3-18(4-9-22)20-5-10-23(29)24(17-20)31-25(32)19-1-6-21(7-2-19)27(11-14-33-15-12-27)26-30-13-16-34-26/h1-10,13,16-17H,11-12,14-15,29H2,(H,31,32)
InChIKeyBWBALSRGJRDURO-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.88
Rot. Bonds5

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

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide (PubChem CID 59160952) has the molecular formula C27H24FN3O2S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide
PubChem CID59160952
Molecular FormulaC27H24FN3O2S
Molecular Weight473.57 g/mol
Exact Mass473.16
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nccs3)CCOCC2)cc1
InChIInChI=1S/C27H24FN3O2S/c28-22-8-3-18(4-9-22)20-5-10-23(29)24(17-20)31-25(32)19-1-6-21(7-2-19)27(11-14-33-15-12-27)26-30-13-16-34-26/h1-10,13,16-17H,11-12,14-15,29H2,(H,31,32)
InChIKeyBWBALSRGJRDURO-UHFFFAOYSA-N
XLogP5.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide (CID 59160952) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(C2(c3nccs3)CCOCC2)cc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The InChIKey is BWBALSRGJRDURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2S/c28-22-8-3-18(4-9-22)20-5-10-23(29)24(17-20)31-25(32)19-1-6-21(7-2-19)27(11-14-33-15-12-27)26-30-13-16-34-26/h1-10,13,16-17H,11-12,14-15,29H2,(H,31,32).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 473.57 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(1,3-thiazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 59160952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).