3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C20H14FN3O3S — CID 4598672

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H14FN3O3S/c21-14-6-4-12(5-7-14)16-11-28-20(22-16)23-19(27)13-2-1-3-15(10-13)24-17(25)8-9-18(24)26/h1-7,10-11H,8-9H2,(H,22,23,27)
InChIKeyCMKSPBLQXISACV-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.85
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4598672) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4598672
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H14FN3O3S/c21-14-6-4-12(5-7-14)16-11-28-20(22-16)23-19(27)13-2-1-3-15(10-13)24-17(25)8-9-18(24)26/h1-7,10-11H,8-9H2,(H,22,23,27)
InChIKeyCMKSPBLQXISACV-UHFFFAOYSA-N
XLogP3.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 4598672) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CMKSPBLQXISACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-14-6-4-12(5-7-14)16-11-28-20(22-16)23-19(27)13-2-1-3-15(10-13)24-17(25)8-9-18(24)26/h1-7,10-11H,8-9H2,(H,22,23,27).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 395.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4598672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).