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

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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).