5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione

C15H10FNS2 — CID 54210477

IUPAC5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione
SMILESFc1ccc(-c2sc(=S)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C15H10FNS2/c16-12-8-6-11(7-9-12)14-13(17-15(18)19-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyPVPHRZVOFKXEIN-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.28
Rot. Bonds2

About 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione

5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione (PubChem CID 54210477) has the molecular formula C15H10FNS2 and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione
PubChem CID54210477
Molecular FormulaC15H10FNS2
Molecular Weight287.38 g/mol
Exact Mass287.02
IUPAC Name5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione
SMILESFc1ccc(-c2sc(=S)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C15H10FNS2/c16-12-8-6-11(7-9-12)14-13(17-15(18)19-14)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyPVPHRZVOFKXEIN-UHFFFAOYSA-N
XLogP5.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
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 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione (CID 54210477) is 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione is Fc1ccc(-c2sc(=S)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione?
The InChIKey is PVPHRZVOFKXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNS2/c16-12-8-6-11(7-9-12)14-13(17-15(18)19-14)10-4-2-1-3-5-10/h1-9H,(H,17,18).
What are the key properties of 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione?
5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione has a molecular weight of 287.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-phenyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 54210477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).