(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione

C13H17FN2OS — CID 16745775

IUPAC(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione
SMILESCC(O)[C@H]1CNC(=S)N1CCc1cccc(F)c1
InChIInChI=1S/C13H17FN2OS/c1-9(17)12-8-15-13(18)16(12)6-5-10-3-2-4-11(14)7-10/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,15,18)/t9?,12-/m1/s1
InChIKeyKGWLQOXEMAYEJD-FFFFSGIJSA-N
MW268.36 g/mol
LogP1.31
Rot. Bonds4

About (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione

(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione (PubChem CID 16745775) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione
PubChem CID16745775
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC Name(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione
SMILESCC(O)[C@H]1CNC(=S)N1CCc1cccc(F)c1
InChIInChI=1S/C13H17FN2OS/c1-9(17)12-8-15-13(18)16(12)6-5-10-3-2-4-11(14)7-10/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,15,18)/t9?,12-/m1/s1
InChIKeyKGWLQOXEMAYEJD-FFFFSGIJSA-N
XLogP1.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione?
The IUPAC name of (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione (CID 16745775) is (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione.
What is the SMILES notation for (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione?
The canonical SMILES for (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione is CC(O)[C@H]1CNC(=S)N1CCc1cccc(F)c1.
What is the InChIKey of (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione?
The InChIKey is KGWLQOXEMAYEJD-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H17FN2OS/c1-9(17)12-8-15-13(18)16(12)6-5-10-3-2-4-11(14)7-10/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,15,18)/t9?,12-/m1/s1.
What are the key properties of (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione?
(5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione has a molecular weight of 268.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-(3-fluorophenyl)ethyl]-5-(1-hydroxyethyl)imidazolidine-2-thione is sourced from PubChem (CID 16745775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).