2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide

C14H14FN3O3S — CID 75511546

IUPAC2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESO=C(CC1NC(=O)NC1=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C14H14FN3O3S/c15-7-1-2-11-8(5-7)9(3-4-22-11)16-12(19)6-10-13(20)18-14(21)17-10/h1-2,5,9-10H,3-4,6H2,(H,16,19)(H2,17,18,20,21)
InChIKeyLOKSLDQAYYVGEB-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.08
Rot. Bonds3

About 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide

2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (PubChem CID 75511546) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
PubChem CID75511546
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESO=C(CC1NC(=O)NC1=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C14H14FN3O3S/c15-7-1-2-11-8(5-7)9(3-4-22-11)16-12(19)6-10-13(20)18-14(21)17-10/h1-2,5,9-10H,3-4,6H2,(H,16,19)(H2,17,18,20,21)
InChIKeyLOKSLDQAYYVGEB-UHFFFAOYSA-N
XLogP1.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (CID 75511546) is 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is O=C(CC1NC(=O)NC1=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The InChIKey is LOKSLDQAYYVGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c15-7-1-2-11-8(5-7)9(3-4-22-11)16-12(19)6-10-13(20)18-14(21)17-10/h1-2,5,9-10H,3-4,6H2,(H,16,19)(H2,17,18,20,21).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is sourced from PubChem (CID 75511546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).