5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one

C13H10FN3OS2 — CID 19703478

IUPAC5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one
SMILESO=C1C(Cc2ccccc2F)NC(=S)N1c1nccs1
InChIInChI=1S/C13H10FN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)17(12(19)16-10)13-15-5-6-20-13/h1-6,10H,7H2,(H,16,19)
InChIKeyYKUCHOYPCVFKME-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.11
Rot. Bonds3

About 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one

5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one (PubChem CID 19703478) has the molecular formula C13H10FN3OS2 and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one
PubChem CID19703478
Molecular FormulaC13H10FN3OS2
Molecular Weight307.38 g/mol
Exact Mass307.02
IUPAC Name5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one
SMILESO=C1C(Cc2ccccc2F)NC(=S)N1c1nccs1
InChIInChI=1S/C13H10FN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)17(12(19)16-10)13-15-5-6-20-13/h1-6,10H,7H2,(H,16,19)
InChIKeyYKUCHOYPCVFKME-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one (CID 19703478) is 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one is O=C1C(Cc2ccccc2F)NC(=S)N1c1nccs1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one?
The InChIKey is YKUCHOYPCVFKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)17(12(19)16-10)13-15-5-6-20-13/h1-6,10H,7H2,(H,16,19).
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one?
5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one has a molecular weight of 307.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-sulfanylidene-3-(1,3-thiazol-2-yl)imidazolidin-4-one is sourced from PubChem (CID 19703478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).