1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine

C28H30F2N4OS — CID 59581691

IUPAC1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine
SMILESC/C(=N\Cc1cc(C)ccc1C)N1CCC(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CC1
InChIInChI=1S/C28H30F2N4OS/c1-17-7-8-18(2)21(13-17)15-31-19(3)34-11-9-20(10-12-34)28-32-25(16-36-28)24-14-26(35-33-24)27-22(29)5-4-6-23(27)30/h4-8,13,16,20,26H,9-12,14-15H2,1-3H3/b31-19+
InChIKeyFEBFJEJFIVUZLH-ZCTHSVRISA-N
MW508.64 g/mol
LogP6.70
Rot. Bonds5

About 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine

1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine (PubChem CID 59581691) has the molecular formula C28H30F2N4OS and a molecular weight of 508.64 g/mol. Its IUPAC name is 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine.

Molecular Properties

Compound Name1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine
PubChem CID59581691
Molecular FormulaC28H30F2N4OS
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC Name1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine
SMILESC/C(=N\Cc1cc(C)ccc1C)N1CCC(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CC1
InChIInChI=1S/C28H30F2N4OS/c1-17-7-8-18(2)21(13-17)15-31-19(3)34-11-9-20(10-12-34)28-32-25(16-36-28)24-14-26(35-33-24)27-22(29)5-4-6-23(27)30/h4-8,13,16,20,26H,9-12,14-15H2,1-3H3/b31-19+
InChIKeyFEBFJEJFIVUZLH-ZCTHSVRISA-N
XLogP6.70
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine 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 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine?
The IUPAC name of 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine (CID 59581691) is 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine.
What is the SMILES notation for 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine?
The canonical SMILES for 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine is C/C(=N\Cc1cc(C)ccc1C)N1CCC(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CC1.
What is the InChIKey of 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine?
The InChIKey is FEBFJEJFIVUZLH-ZCTHSVRISA-N. The full InChI is InChI=1S/C28H30F2N4OS/c1-17-7-8-18(2)21(13-17)15-31-19(3)34-11-9-20(10-12-34)28-32-25(16-36-28)24-14-26(35-33-24)27-22(29)5-4-6-23(27)30/h4-8,13,16,20,26H,9-12,14-15H2,1-3H3/b31-19+.
What are the key properties of 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine?
1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine has a molecular weight of 508.64 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-N-[(2,5-dimethylphenyl)methyl]ethanimine is sourced from PubChem (CID 59581691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).