N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide

C28H33FN4O2S — CID 88892911

IUPACN-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide
SMILESC=C(NC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(CN2C[C@@H](C)O[C@@H](C)C2)s1)c1ccc(F)cc1
InChIInChI=1S/C28H33FN4O2S/c1-18-15-33(16-19(2)35-18)17-24-25(22-9-7-6-8-10-22)30-27(36-24)31-26(34)28(4,5)32-20(3)21-11-13-23(29)14-12-21/h6-14,18-19,32H,3,15-17H2,1-2,4-5H3,(H,30,31,34)/t18-,19+
InChIKeyALSBLXLVSFTEOM-KDURUIRLSA-N
MW508.66 g/mol
LogP5.54
Rot. Bonds8

About N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide

N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide (PubChem CID 88892911) has the molecular formula C28H33FN4O2S and a molecular weight of 508.66 g/mol. Its IUPAC name is N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide
PubChem CID88892911
Molecular FormulaC28H33FN4O2S
Molecular Weight508.66 g/mol
Exact Mass508.23
IUPAC NameN-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide
SMILESC=C(NC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(CN2C[C@@H](C)O[C@@H](C)C2)s1)c1ccc(F)cc1
InChIInChI=1S/C28H33FN4O2S/c1-18-15-33(16-19(2)35-18)17-24-25(22-9-7-6-8-10-22)30-27(36-24)31-26(34)28(4,5)32-20(3)21-11-13-23(29)14-12-21/h6-14,18-19,32H,3,15-17H2,1-2,4-5H3,(H,30,31,34)/t18-,19+
InChIKeyALSBLXLVSFTEOM-KDURUIRLSA-N
XLogP5.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide 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-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide?
The IUPAC name of N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide (CID 88892911) is N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide.
What is the SMILES notation for N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide?
The canonical SMILES for N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide is C=C(NC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(CN2C[C@@H](C)O[C@@H](C)C2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide?
The InChIKey is ALSBLXLVSFTEOM-KDURUIRLSA-N. The full InChI is InChI=1S/C28H33FN4O2S/c1-18-15-33(16-19(2)35-18)17-24-25(22-9-7-6-8-10-22)30-27(36-24)31-26(34)28(4,5)32-20(3)21-11-13-23(29)14-12-21/h6-14,18-19,32H,3,15-17H2,1-2,4-5H3,(H,30,31,34)/t18-,19+.
What are the key properties of N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide?
N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide has a molecular weight of 508.66 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-yl]-2-[1-(4-fluorophenyl)ethenylamino]-2-methylpropanamide is sourced from PubChem (CID 88892911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).