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

C15H10FNS2 — CID 54342245

IUPAC4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione
SMILESFc1ccc(-c2[nH]c(=S)sc2-c2ccccc2)cc1
InChIInChI=1S/C15H10FNS2/c16-12-8-6-10(7-9-12)13-14(19-15(18)17-13)11-4-2-1-3-5-11/h1-9H,(H,17,18)
InChIKeyTZUCETOJNRUNGR-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.28
Rot. Bonds2

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

4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione (PubChem CID 54342245) has the molecular formula C15H10FNS2 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione
PubChem CID54342245
Molecular FormulaC15H10FNS2
Molecular Weight287.38 g/mol
Exact Mass287.02
IUPAC Name4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione
SMILESFc1ccc(-c2[nH]c(=S)sc2-c2ccccc2)cc1
InChIInChI=1S/C15H10FNS2/c16-12-8-6-10(7-9-12)13-14(19-15(18)17-13)11-4-2-1-3-5-11/h1-9H,(H,17,18)
InChIKeyTZUCETOJNRUNGR-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 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione (CID 54342245) is 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione is Fc1ccc(-c2[nH]c(=S)sc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione?
The InChIKey is TZUCETOJNRUNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNS2/c16-12-8-6-10(7-9-12)13-14(19-15(18)17-13)11-4-2-1-3-5-11/h1-9H,(H,17,18).
What are the key properties of 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione?
4-(4-fluorophenyl)-5-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 4-(4-fluorophenyl)-5-phenyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 54342245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).