2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one

C24H21FN2O3S — CID 173162332

IUPAC2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
SMILESO=C1C(NCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3S/c25-21-13-11-19(12-14-21)17-27-24(28)22(26-16-15-18-7-3-1-4-8-18)23(31(27,29)30)20-9-5-2-6-10-20/h1-14,26H,15-17H2
InChIKeyUYQQDZPJRRVSMN-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.70
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one

2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one (PubChem CID 173162332) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
PubChem CID173162332
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Name2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one
SMILESO=C1C(NCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3S/c25-21-13-11-19(12-14-21)17-27-24(28)22(26-16-15-18-7-3-1-4-8-18)23(31(27,29)30)20-9-5-2-6-10-20/h1-14,26H,15-17H2
InChIKeyUYQQDZPJRRVSMN-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one with MolForge

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Related Compounds

1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-2-(pyridin-2-ylmethyl)-1,2-thiazol-3-one
CID 11561417
1,1-dioxo-2-(oxolan-2-ylmethyl)-5-phenyl-4-(4-phenylbutylamino)-1,2-thiazol-3-one
CID 11704858
4-[2-[(1,1-dihydroxy-3-oxo-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl)amino]ethyl]benzonitrile
CID 67243674
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
4-[[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]methyl]-N-(3-phenylpropyl)benzamide
CID 50790852
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999968
3-chloro-1-(2-phenylethyl)-4-(2-phenylethylamino)pyrrole-2,5-dione
CID 2791448
1-benzyl-3-chloro-4-[(4-fluorophenyl)methylamino]pyrrole-2,5-dione
CID 716965
3-chloro-4-(4-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 724968
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one (CID 173162332) is 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one is O=C1C(NCCc2ccccc2)=C(c2ccccc2)S(=O)(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
The InChIKey is UYQQDZPJRRVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c25-21-13-11-19(12-14-21)17-27-24(28)22(26-16-15-18-7-3-1-4-8-18)23(31(27,29)30)20-9-5-2-6-10-20/h1-14,26H,15-17H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one?
2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one has a molecular weight of 436.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,1-dioxo-5-phenyl-4-(2-phenylethylamino)-1,2-thiazol-3-one is sourced from PubChem (CID 173162332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).