N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide

C30H24FN3OS — CID 10206833

IUPACN-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide
SMILESCc1cccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccnc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C30H24FN3OS/c1-20-6-5-9-23(18-20)28-29(36-30(34-28)22-11-13-25(31)14-12-22)24-16-17-32-26(19-24)33-27(35)15-10-21-7-3-2-4-8-21/h2-9,11-14,16-19H,10,15H2,1H3,(H,32,33,35)
InChIKeyBFOKBWPFXFDYML-UHFFFAOYSA-N
MW493.61 g/mol
LogP7.56
Rot. Bonds7

About N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide

N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide (PubChem CID 10206833) has the molecular formula C30H24FN3OS and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide
PubChem CID10206833
Molecular FormulaC30H24FN3OS
Molecular Weight493.61 g/mol
Exact Mass493.16
IUPAC NameN-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide
SMILESCc1cccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccnc(NC(=O)CCc3ccccc3)c2)c1
InChIInChI=1S/C30H24FN3OS/c1-20-6-5-9-23(18-20)28-29(36-30(34-28)22-11-13-25(31)14-12-22)24-16-17-32-26(19-24)33-27(35)15-10-21-7-3-2-4-8-21/h2-9,11-14,16-19H,10,15H2,1H3,(H,32,33,35)
InChIKeyBFOKBWPFXFDYML-UHFFFAOYSA-N
XLogP7.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide 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-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide (CID 10206833) is N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide is Cc1cccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccnc(NC(=O)CCc3ccccc3)c2)c1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is BFOKBWPFXFDYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3OS/c1-20-6-5-9-23(18-20)28-29(36-30(34-28)22-11-13-25(31)14-12-22)24-16-17-32-26(19-24)33-27(35)15-10-21-7-3-2-4-8-21/h2-9,11-14,16-19H,10,15H2,1H3,(H,32,33,35).
What are the key properties of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide?
N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 493.61 g/mol, XLogP of 7.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 10206833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).