(4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione

C15H12FNOS2 — CID 808553

IUPAC(4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione
SMILESC=C[C@@H]1NC(=S)O[C@]1(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H12FNOS2/c1-2-12-15(18-14(19)17-12,13-4-3-9-20-13)10-5-7-11(16)8-6-10/h2-9,12H,1H2,(H,17,19)/t12-,15-/m0/s1
InChIKeyYNFATFAKAQMZKE-WFASDCNBSA-N
MW305.40 g/mol
LogP3.59
Rot. Bonds3

About (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione

(4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione (PubChem CID 808553) has the molecular formula C15H12FNOS2 and a molecular weight of 305.40 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione
PubChem CID808553
Molecular FormulaC15H12FNOS2
Molecular Weight305.40 g/mol
Exact Mass305.03
IUPAC Name(4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione
SMILESC=C[C@@H]1NC(=S)O[C@]1(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H12FNOS2/c1-2-12-15(18-14(19)17-12,13-4-3-9-20-13)10-5-7-11(16)8-6-10/h2-9,12H,1H2,(H,17,19)/t12-,15-/m0/s1
InChIKeyYNFATFAKAQMZKE-WFASDCNBSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione?
The IUPAC name of (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione (CID 808553) is (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione?
The canonical SMILES for (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione is C=C[C@@H]1NC(=S)O[C@]1(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione?
The InChIKey is YNFATFAKAQMZKE-WFASDCNBSA-N. The full InChI is InChI=1S/C15H12FNOS2/c1-2-12-15(18-14(19)17-12,13-4-3-9-20-13)10-5-7-11(16)8-6-10/h2-9,12H,1H2,(H,17,19)/t12-,15-/m0/s1.
What are the key properties of (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione?
(4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione has a molecular weight of 305.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethenyl-5-(4-fluorophenyl)-5-thiophen-2-yl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 808553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).