2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

C19H20FN3O3S — CID 126463602

IUPAC2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(c1nccs1)N(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C)C1=O
InChIInChI=1S/C19H20FN3O3S/c1-12(17-21-7-8-27-17)22(2)15(24)10-19(11-16(25)23(3)18(19)26)13-5-4-6-14(20)9-13/h4-9,12H,10-11H2,1-3H3
InChIKeyYRCVDKSWYUILHV-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 126463602) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID126463602
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(c1nccs1)N(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C)C1=O
InChIInChI=1S/C19H20FN3O3S/c1-12(17-21-7-8-27-17)22(2)15(24)10-19(11-16(25)23(3)18(19)26)13-5-4-6-14(20)9-13/h4-9,12H,10-11H2,1-3H3
InChIKeyYRCVDKSWYUILHV-UHFFFAOYSA-N
XLogP2.52
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
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 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 126463602) is 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is CC(c1nccs1)N(C)C(=O)CC1(c2cccc(F)c2)CC(=O)N(C)C1=O.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is YRCVDKSWYUILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-12(17-21-7-8-27-17)22(2)15(24)10-19(11-16(25)23(3)18(19)26)13-5-4-6-14(20)9-13/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 126463602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).