N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide

C20H16FN3O2S2 — CID 9111681

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide
SMILESO=C1CSCN1CC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H16FN3O2S2/c21-15-8-6-14(7-9-15)17-11-28-20(22-17)24(16-4-2-1-3-5-16)18(25)10-23-13-27-12-19(23)26/h1-9,11H,10,12-13H2
InChIKeyDPZVPVSHWZCLJU-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.15
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide (PubChem CID 9111681) has the molecular formula C20H16FN3O2S2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide
PubChem CID9111681
Molecular FormulaC20H16FN3O2S2
Molecular Weight413.50 g/mol
Exact Mass413.07
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide
SMILESO=C1CSCN1CC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H16FN3O2S2/c21-15-8-6-14(7-9-15)17-11-28-20(22-17)24(16-4-2-1-3-5-16)18(25)10-23-13-27-12-19(23)26/h1-9,11H,10,12-13H2
InChIKeyDPZVPVSHWZCLJU-UHFFFAOYSA-N
XLogP4.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide (CID 9111681) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide is O=C1CSCN1CC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide?
The InChIKey is DPZVPVSHWZCLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S2/c21-15-8-6-14(7-9-15)17-11-28-20(22-17)24(16-4-2-1-3-5-16)18(25)10-23-13-27-12-19(23)26/h1-9,11H,10,12-13H2.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide has a molecular weight of 413.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 9111681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).